SCHEMBL1421927

SCHEMBL1421927

COC(=O)c1cc(C)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.53
NR4A2 P43354 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CISD2 Q8N5K1 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL31506855 1.00 CYP46A1 (0.53) CYP46A1NR4A2TDP1ALDH1A1HPGD
SCHEMBL1277539 0.82 CA12 (0.44) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL1206018 0.82 CYP46A1 (0.57) CYP46A1NR4A2TDP1ALDH1A1HPGD
SCHEMBL14048740 0.81 TSHR (0.53) TDP1ALDH1A1HPGDKDM4ECA12
SCHEMBL166743 0.81 CA12 (0.67) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL27707943 0.81 KDM4E (0.58) TDP1ALDH1A1HPGDKDM4ECA12
SCHEMBL2982404 0.80 CISD2 (0.40) CYP46A1CISD2CA12CA1CA2
SCHEMBL1170022 0.80 CYP46A1 (0.56) CYP46A1NR4A2TDP1HPGDCISD2
SCHEMBL30364839 0.80 CYP46A1 (0.56) CYP46A1NR4A2TDP1HPGDCISD2
SCHEMBL13352642 0.79 CA12 (0.46) ALDH1A1HPGDKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297135-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST Merck Sharp & Dohme Corp. (US) 2011-03-23 EP claimed
WO-2009143033-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2009-11-26 WO claimed
CN-122010922-A Benzoxazole compounds, pharmaceutical compositions containing same and uses thereof 株洲千金药业股份有限公司 2026-05-12 CN disclosed
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
US-12570651-B2 Quinazoline-2,4-dione derivatives as PARP inhibitors Suzhou Four Health Pharmaceuticals Co., Ltd. (CN) 2026-03-10 US disclosed
EP-4665495-A1 DEVELOPMENT OF LIGANDS FOR METALS AND METAL-CATALYZED REACTIONS Indian Institute of Technology Bombay (IN) 2025-12-24 EP disclosed
US-20250224675-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2025-07-10 US disclosed
CN-119912402-A FTO inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2025-05-02 CN disclosed
CN-113939288-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-04-25 CN disclosed
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-12 US disclosed
EP-1586565-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade Pharmacia Corporation (US) 2005-10-19 EP disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
EP-1202975-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORP (US) 2005-04-06 EP disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-05-27 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 US disclosed
US-6664255-B1 1-alkylamido-3-amino substituted; inhibiting serine proteases PHARMACIA CORPORATION 2003-12-16 US disclosed
EP-1202975-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-05-08 EP disclosed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO 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 (7 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-20040102448-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 CYP46A1 628/4885NR4A2 3213/4885TDP1 1921/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT CYP46A1 632/4885NR4A2 3121/4885TDP1 2092/4885
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 CYP46A1 965/4885NR4A2 179/4885TDP1 4585/4885
US-20250224675-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND RER1, RARA, RARG CYP46A1 2971/4885NR4A2 292/4885TDP1 3036/4885
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 CYP46A1 728/4885NR4A2 4636/4885TDP1 1179/4885
US-12570651-B2 Quinazoline-2,4-dione derivatives as PARP inhibitors PARP1, PARP3, PARP2 CYP46A1 4724/4885NR4A2 3709/4885TDP1 121/4885
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 CYP46A1 1768/4885NR4A2 344/4885TDP1 4511/4885

“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.