SCHEMBL2049036

SCHEMBL2049036

Cc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
DHODH Q02127 1/20 0.49
DTYMK P23919 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HPGD P15428 1/20 0.41
FBP1 P09467 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNMA1 Q12791 1/20 0.40

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
SCHEMBL31636358 1.00 TSHR (0.56) TSHRDHODHDTYMKAKR1C4AKR1C3
SCHEMBL27183608 0.86 DHODH (0.49) TSHRDHODHHPGDALDH1A1TDP1
SCHEMBL13468191 0.86 DHODH (0.52) TSHRDHODHHPGDKDM1ARCOR1
SCHEMBL2043408 0.83 MEN1 (0.50) DHODHHPGDTDP1
SCHEMBL1494608 0.82 CYP3A4 (0.52) TSHRDTYMKAKR1C4AKR1C3AKR1C2
SCHEMBL6830067 0.82 TSHR (0.59) TSHRDTYMKHPGDCYP3A4ALDH1A1
SCHEMBL31218393 0.82 TPMT (0.54) TSHRDHODHAKR1C4AKR1C3AKR1C2
SCHEMBL31218394 0.82 TPMT (0.54) TSHRDHODHAKR1C4AKR1C3AKR1C2
SCHEMBL19175000 0.82 HKDC1 (0.50) TSHRDHODHHPGDKDM1ARCOR1
SCHEMBL28141673 0.82 VCAM1 (0.54) TSHRDHODHHPGDKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739668-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION Academisch Ziekenhuis Leiden (h.o.d.n. LUMC) (NL) 2026-05-13 EP disclosed
EP-4596544-A1 EP300/CBP REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Miracure Biotechnology Limited (CN) 2025-08-06 EP disclosed
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
WO-2025014359-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION ACADEMISCH ZIEKENHUIS LEIDEN (h.o.d.n. LUMC) (NL) 2025-01-16 WO disclosed
CN-117843618-A EP300/CBP regulator and preparation method and application thereof 北京沐华生物科技有限责任公司 2024-04-09 CN disclosed
US-20240109868-A1 EP300/CBP MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Miracure Biotechnology Limited (CN) 2024-04-04 US disclosed
WO-2024046504-A1 EP300/CBP REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京沐华生物科技有限责任公司 2024-03-07 WO disclosed
US-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-07-18 US disclosed
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 EP disclosed
EP-3323820-B1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2023-05-10 EP disclosed
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. 2012-10-18 US disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 WO disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 WO disclosed
WO-2011130661-A1 METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2011-10-20 WO disclosed
US-20110237581-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2011-09-29 US disclosed
US-8012976-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2011-09-06 US disclosed
CN-102171214-A Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2011-08-31 CN disclosed
EP-2326650-A2 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BioMarin Pharmaceutical Inc. (US) 2011-06-01 EP disclosed
WO-2010017055-A2 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2010-02-11 WO disclosed
US-20100035883-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2010-02-11 US 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 (5 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-20240109868-A1 EP300/CBP MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF EP300, CREBBP, BPTF TSHR 4008/4885DHODH 4487/4885DTYMK 2583/4885
US-20110237581-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TSHR 3935/4885DHODH 796/4885DTYMK 355/4885
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 TSHR 3819/4885DHODH 619/4885DTYMK 3111/4885
US-20100035883-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TSHR 3935/4885DHODH 796/4885DTYMK 355/4885
US-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications CYP4F11, WEE1, CYP51A1 TSHR 4393/4885DHODH 815/4885DTYMK 3941/4885

“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.