SCHEMBL364693

SCHEMBL364693

CC(C)c1ncccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CHRM1 P11229 2/20 0.45
ADRA1A P35348 2/20 0.45
MMP2 P08253 1/20 0.45
COMT P21964 1/20 0.45
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.39
SLC6A2 P23975 3/20 0.39
KMT2A Q03164 1/20 0.39
ALOX12 P18054 2/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL31155959 1.00 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHRHDAC8
Methane SCHEMBL10700573 0.98 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL30853079 0.86 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL27763192 0.85 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL18361548 0.85 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL1333769 0.81 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL6667522 0.81 HSD17B10 (0.40) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL9627663 0.81 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL5801755 0.80 ALDH1A1 (0.37) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL28383990 0.79 L3MBTL1 (0.43) GABRA1GABRB2ALDH1A1TSHRHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 EP disclosed
US-12570634-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2026-03-10 US disclosed
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2025-09-18 US disclosed
EP-4516779-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2025-03-05 EP disclosed
US-20250026754-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LTD (CN) 2025-01-23 US disclosed
CN-119053601-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-11-29 CN disclosed
EP-4430050-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-09-18 EP disclosed
CN-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 CN disclosed
US-20240190839-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2024-06-13 US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 WO disclosed
US-7544694-B2 Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-09 US disclosed
WO-2007112913-A2 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-10-11 WO disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070027159-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-01 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885ALDH1A1 2353/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 GABRA1 3026/4885GABRB2 3627/4885ALDH1A1 598/4885
US-20070027159-A1 Therapeutic agents useful for treating pain ARRB1, FPR1, OPRL1 GABRA1 198/4885GABRB2 202/4885ALDH1A1 875/4885
US-20250026754-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 GABRA1 3155/4885GABRB2 3544/4885ALDH1A1 1562/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885ALDH1A1 2353/4885
US-20240190839-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 GABRA1 3167/4885GABRB2 3455/4885ALDH1A1 1772/4885
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists NPSR1, PROKR2, KISS1R GABRA1 1043/4885GABRB2 571/4885ALDH1A1 700/4885
US-20250289799-A1 PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL USE THEREOF USP1, UPP1, UFL1 GABRA1 2747/4885GABRB2 3842/4885ALDH1A1 336/4885
US-12570634-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof USP1, USP2, USP3 GABRA1 3208/4885GABRB2 3315/4885ALDH1A1 706/4885

“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.