SCHEMBL264648

SCHEMBL264648

Brc1cccc(C2OC=CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.41
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
RCOR1 Q9UKL0 3/20 0.38
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL2281976 0.81 C1S (0.39) KDM1AMEN1KMT2AALDH1A1
SCHEMBL194639 0.77 KDM1A (0.50) KDM1AMEN1KMT2AHTR2AHTR2C
SCHEMBL12641997 0.75 KDM1A (0.44) KDM1AMEN1KMT2AHTR2AHTR2C
SCHEMBL744929 0.75 KDM1A (0.41) KDM1AMEN1KMT2AHTR2AHTR2C
SCHEMBL723465 0.74 ACHE (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL7833417 0.74 CYP3A4 (0.46) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL921104 0.74 ALDH1A1 (0.46) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL3124390 0.74 TAAR1 (0.42) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL2469369 0.74 TAAR1 (0.42) KDM1AMEN1KMT2AHTR2AHTR2C
SCHEMBL3117055 0.74 IDO1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142493-B1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NAT RECH SCIENT (FR) 2019-03-27 EP disclosed
US-10155763-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors TIUMBIO CO., LTD. (KR) 2018-12-18 US disclosed
EP-2731949-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS TIUMBIO CO LTD (KR) 2018-04-04 EP disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-20140242606-A1 PROBE FOR iFRET AND USE THEREOF KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-28 US disclosed
EP-2731949-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS SK Chemicals Co., Ltd. (KR) 2014-05-21 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
WO-2002024649-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 EP disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP 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 (1 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-10155763-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ACVR1, ACVRL1, ALK KDM1A 1043/4885MEN1 2817/4885KMT2A 2310/4885

“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.