SCHEMBL780699

SCHEMBL780699

CC(C)(O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KIF11 P52732 1/20 0.42
CYP3A4 P08684 5/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 1/20 0.41
CA3 P07451 1/20 0.41
THRB P10828 1/20 0.41
CA6 P23280 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX2 P34913 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL196799 0.85 MEN1 (0.48) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL13917764 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL10399505 0.79 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL5591445 0.78 PDE2A (0.50) ALDH1A1MAPTMAPK1HPGDMEN1
SCHEMBL31434400 0.78 MAOB (0.66) MAPTRAB9AGAA
SCHEMBL126726 0.77 CYP3A4 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL10620533 0.77 LMNA (0.60) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL1729158 0.77 CYP3A4 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL4850356 0.77 ESR1 (0.60) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL676983 0.77 KIF11 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
US-20240261274-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2024-08-08 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-11998611-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2024-06-04 US disclosed
US-20240150277-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-05-09 US disclosed
US-11932601-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
CN-1849315-A Novel nitrogen-containing heterocyclic amides for the treatment of pain ABBOTT LAB (US) 2006-10-18 CN disclosed
US-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
EP-1591446-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11998611-B2 Cryptophycin antibody conjugates for the treatment of cancer CLSPN, HCCS, INCENP ALDH1A1 2828/4885MAPT 3436/4885MAPK1 4349/4885
US-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent GNRHR, KISS1R, FSHR ALDH1A1 2600/4885MAPT 4837/4885MAPK1 907/4885
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 ALDH1A1 2092/4885MAPT 4799/4885MAPK1 1471/4885
US-20240150277-A1 Covalent PPARG inverse-agonists PPARG, PPARD, PPARA ALDH1A1 1224/4885MAPT 4826/4885MAPK1 2137/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 ALDH1A1 1142/4885MAPT 4795/4885MAPK1 3281/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 ALDH1A1 4150/4885MAPT 4671/4885MAPK1 3358/4885
US-11932601-B2 Immunoregulatory agents IDO1, IDO2, INMT ALDH1A1 219/4885MAPT 2758/4885MAPK1 2465/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 ALDH1A1 843/4885MAPT 4422/4885MAPK1 3503/4885
US-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC ALDH1A1 2563/4885MAPT 2291/4885MAPK1 2177/4885
US-20240261274-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MYC, MYCBP, GSPT1 ALDH1A1 4276/4885MAPT 3196/4885MAPK1 2937/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.