SCHEMBL1144008

SCHEMBL1144008

COc1ccc(-c2cc(N)on2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
DYRK1A Q13627 1/20 0.51
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL22653460 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL31341190 0.80 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL31341297 0.80 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL1181029 0.80 NPC1 (0.87) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6352561 0.80 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL3358354 0.79 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL6352556 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL9214731 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10583890 0.79 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2898452 0.78 NOTUM (0.64) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058447-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS A2A Pharmaceuticals, Inc. (US) 2022-09-21 EP claimed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
EP-3801529-B1 HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE ONCOCUBE THERAPEUTICS LLC (US) 2023-10-11 EP disclosed
US-11622966-B2 Highly potent TACC3 inhibitor as a novel anticancer drug candidate A2A PHARMACEUTICALS, INC. (US) 2023-04-11 US disclosed
US-20230027854-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS COILED THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20210220369-A1 HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE A2A PHARMACEUTICALS, INC. (US) 2021-07-22 US disclosed
WO-2021097352-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS A2A PHARMACEUTICALS, INC. (US) 2021-05-20 WO disclosed
EP-3801529-A2 HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE OncoCube Therapeutics LLC (US) 2021-04-14 EP disclosed
CN-112469414-A Highly potent TACC3 inhibitor as novel candidate anticancer drug 昂科库博疗法有限责任公司 2021-03-09 CN disclosed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
WO-2020018039-A2 HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE BANOGLU ERDEN (TR) 2020-01-23 WO disclosed
WO-2012076942-A1 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-06-14 WO disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20210220369-A1 HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE TACR3, TAC3, TACR2 NPC1 288/4885RAB9A 3167/4885SMN1; SMN2 4726/4885
US-11622966-B2 Highly potent TACC3 inhibitor as a novel anticancer drug candidate BUB3, TAC3, TACR3 NPC1 937/4885RAB9A 4138/4885SMN1; SMN2 4346/4885
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 NPC1 1167/4885RAB9A 334/4885SMN1; SMN2 14/4885
US-20230027854-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS PTPRC, NFATC1, PTPRCAP NPC1 637/4885RAB9A 2191/4885SMN1; SMN2 4119/4885
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 NPC1 428/4885RAB9A 3098/4885SMN1; SMN2 313/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 NPC1 2053/4885RAB9A 2257/4885SMN1; SMN2 13/4885
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 NPC1 1464/4885RAB9A 2718/4885SMN1; SMN2 4619/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885RAB9A 1619/4885SMN1; SMN2 120/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NPC1 795/4885RAB9A 1496/4885SMN1; SMN2 3501/4885

“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.