SCHEMBL4673711

SCHEMBL4673711

O=CNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
AR P10275 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LTA4H P09960 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL8558269 0.85 MEN1 (0.58) BCHEALDH1A1HPGDARNPC1
SCHEMBL19946509 0.83 MAOB (0.54) ALDH1A1HPGDKDM4EMAPTAR
SCHEMBL28182690 0.83 NPC1 (0.56) ALDH1A1HPGDNPC1RAB9ALTA4H
SCHEMBL19946513 0.83 APP (0.56) BCHEALDH1A1MAPTNPC1RAB9A
SCHEMBL19946503 0.83 APP (0.56) ARMAOB
SCHEMBL19946510 0.83 MAOB (0.56) BCHEARNPC1RAB9ASMN1; SMN2
SCHEMBL7917260 0.83 BCHE (0.56) BCHEALDH1A1HPGDMAPTAR
SCHEMBL28195276 0.83 MAOB (0.59) BCHEALDH1A1HPGDKDM4EMAPT
SCHEMBL14342427 0.83 MEN1 (0.59) BCHEALDH1A1HPGDKDM4EMAPT
SCHEMBL5174546 0.82 MAOB (0.60) BCHEMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 BCHE 4219/4885ALDH1A1 3369/4885HPGD 2468/4885

“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.