SCHEMBL761925

SCHEMBL761925

CN(C)C(=O)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.45
CTNNB1 P35222 1/20 0.45

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
SCHEMBL29516254 1.00 ALDH1A1 (0.61) ALDH1A1CES2CES1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL16594352 0.98 ALDH1A1 (0.59) ALDH1A1CES2CES1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL31098456 0.98 ALDH1A1 (0.59) ALDH1A1CES2CES1L3MBTL1LMNA
Furan SCHEMBL3664221 0.89 ALDH1A1 (0.50) ALDH1A1CES2CES1L3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL31197677 0.88 LMNA (0.50) ALDH1A1CES2CES1L3MBTL1LMNA
SCHEMBL11254855 0.86 ALDH1A1 (0.59) ALDH1A1CES2CES1L3MBTL1LMNA
SCHEMBL18428315 0.84 ALDH1A1 (0.57) ALDH1A1CES2CES1L3MBTL1LMNA
SCHEMBL20709045 0.84 ALDH1A1 (0.57) ALDH1A1CES2CES1L3MBTL1LMNA
SCHEMBL28129295 0.84 ALDH1A1 (0.57) ALDH1A1CES2CES1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL22583360 0.82 ALDH1A1 (0.55) ALDH1A1CES2CES1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260069605-A1 KRAS INHIBITORS INCYTE CORP (US) 2026-03-12 US claimed
US-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer MERCK PATENT GMBH (DE) 2025-12-02 US claimed
WO-2025080593-A1 COMBINATION THERAPY USING A KRAS G12D INHIBITOR AND PD-1 INHIBITOR OR PD-L1 INHIBITOR INCYTE CORPORATION (US) 2025-04-17 WO claimed
WO-2025080592-A1 COMBINATION COMPRISING A KRAS G12D INHIBITOR AND AN EGFR INHIBITOR FOR USE IN THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2025-04-17 WO claimed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US claimed
US-20240368156-A1 2-AZABICYCLO[2.2.1]HEPTANE KRAS INHIBITORS INCYTE CORPORATION 2024-11-07 US claimed
EP-4415824-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-08-21 EP claimed
US-20240208969-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF IMPACT THERAPEUTICS (SHANGHAI), INC. (CN) 2024-06-27 US claimed
EP-4326713-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2024-02-28 EP claimed
WO-2023064857-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-04-20 WO claimed
EP-0915874-B1 PROCESS OF PREPARATION OF VALACYCLOVIR AND RELEVANT INTERMEDIATES IND CHIMICA SRL (IT) 2003-12-10 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
EP-0915874-A2 PROCESS OF PREPARATION OF VALACYCLOVIR AND RELEVANT INTERMEDIATES INDUSTRIALE CHIMICA S.r.l. (IT) 1999-05-19 EP claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998003553-A1 PROCESS OF PREPARATION OF VALACYCLOVIR AND RELEVANT INTERMEDIATES INDUSTRIALE CHIMICA S.R.L. (IT) 1998-01-29 WO claimed
EP-0377357-B1 Process for the condensation of at least one epoxide on at least one cyclic anhyhride in the presence of a titanium-based catalyst INST FRANCAIS DU PETROLE (FR) 1994-03-23 EP claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed
US-4997910-A Polyesters INSTITUT FRANCAIS DU PETROLE (FR) 1991-03-05 US claimed

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885CES2 3925/4885CES1 1733/4885
US-20240208969-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF PARP1, PARP3, PARP11 ALDH1A1 217/4885CES2 2142/4885CES1 1528/4885
US-20240368156-A1 2-AZABICYCLO[2.2.1]HEPTANE KRAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 1476/4885CES2 4746/4885CES1 3416/4885
US-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer KIT, TNNI3K, CILK1 ALDH1A1 421/4885CES2 2997/4885CES1 1740/4885
US-20260069605-A1 KRAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 966/4885CES2 4391/4885CES1 648/4885

“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.