SCHEMBL71536

SCHEMBL71536

COC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
POLB P06746 1/20 0.66
NPC1 O15118 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HDAC1 Q13547 1/20 0.64
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
TP53 P04637 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
HPGDS O60760 2/20 0.54

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
SCHEMBL2491378 0.97 RAB9A (0.72) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL6477476 0.91 KDM4E (0.58) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL13525288 0.85 HSD17B1 (0.59) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL1235256 0.85 LMNA (0.60) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL3918681 0.84 HPGDS (0.59) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL27769050 0.84 ESRRG (0.59) RAB9APOLBNPC1ALDH1A1HPGD
SCHEMBL497984 0.84 ESRRG (0.56) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL27141132 0.84 RAB9A (0.54) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL12348717 0.84 HSD17B1 (0.56) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL5238765 0.83 HDAC3 (0.66) RAB9AMEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP disclosed
CN-101624391-A Thiophene derivatives as antiviral agents for flavivirus infection VIROCHEM PHARMA INC 2010-01-13 CN disclosed
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 WO disclosed
CN-1290264-A Triazine angiogenesis inhibitors ABBOTT LAB (US) 2001-04-04 CN disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 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 (2 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A RAB9A 850/4885MEN1 1936/4885KMT2A 2167/4885
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT RAB9A 2334/4885MEN1 4488/4885KMT2A 4582/4885

“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.