SCHEMBL88718

SCHEMBL88718

S=C1COc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HK1 P19367 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
GALK1 P51570 1/20 0.50
BLM P54132 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL2008333 0.77 ALOX5 (0.54) MEN1KMT2AKDM4ENPC1HSP90AA1
SCHEMBL10095220 0.77 ALOX5 (0.48) KMT2AALOX5GAANPSR1MMP12
SCHEMBL88746 0.75 MMP12 (0.58) KMT2ANPC1MAPTALDH1A1GAA
SCHEMBL8490860 0.75 MMP12 (0.41) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL10510154 0.75 NR3C2 (0.48) MMP12
SCHEMBL8195292 0.75 MMP12 (0.41) KMT2AMAPTBLMALDH1A1NPSR1
SCHEMBL14079849 0.75 MMP12 (0.41) MEN1KMT2AKDM4ENPC1HSP90AA1
Hydrochloric Acid SCHEMBL30293243 0.73 MMP12 (0.56) KMT2ANPC1MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6518631 0.73 MMP12 (0.56) KMT2ANPC1MAPTALDH1A1GAA
SCHEMBL31472166 0.73 NR3C1 (0.42) HSP90AA1MAPTMAPK1BLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947073-B1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2019-04-03 EP disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
EP-2947073-A2 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics Pty Ltd (AU) 2015-11-25 EP disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 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 (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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MEN1 4394/4885KMT2A 4025/4885KDM4E 1681/4885

“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.