SCHEMBL4514923

SCHEMBL4514923

N=C(Cc1ccncc1)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP19A1 P11511 3/20 0.38
HDAC3 O15379 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL434982 0.77 HDAC8 (0.56) ALDH1A1HDAC6HDAC1GAAHDAC2
SCHEMBL3524140 0.76 NAPRT (0.55) ALDH1A1HDAC6HDAC1CYP1A2CYP3A4
SCHEMBL838150 0.76 CA2 (0.46) ALDH1A1CYP2C19HDAC2HDAC8RAB9A
SCHEMBL1965925 0.76 IDO1 (0.45) NPC1SMN1; SMN2
SCHEMBL23586287 0.74 ALDH1A1 (0.42) ALDH1A1HDAC6CYP3A4MAPTLOXL2
SCHEMBL641405 0.74 IDO1 (0.44) ALDH1A1HDAC6HDAC1HDAC2HDAC8
SCHEMBL641565 0.74 GAA (0.46) ALDH1A1GAALOXL2RAB9ASMN1; SMN2
SCHEMBL480288 0.74 CYP3A4 (0.35) HDAC6CYP1A2CYP3A4CYP2D6HDAC8
SCHEMBL1580990 0.74 IDO1 (0.44) ALDH1A1HDAC6HDAC1GAARAB9A
Hydroxyamine SCHEMBL7974827 0.74 KMT2A (0.52) ALDH1A1HDAC6CYP3A4GAAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 WO disclosed
US-6897306-B2 3-heterocyclylpropanohydroxamic acids PFIZER PRODUCTS, INC. (US) 2005-05-24 US disclosed
EP-1240152-B1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids BAILEY SIMON (US) 2003-06-26 US disclosed
US-6448278-B2 ANTISCARRING AGENT PFIZER INC. 2002-09-10 US disclosed
EP-1140920-A1 PIPERIDINES AS CCR5 MODULATORS Pfizer Limited (GB) 2001-10-10 EP disclosed
US-20010021718-A1 Procollagen C-proteinase inhibitors PFIZER INC. 2001-09-13 US disclosed
WO-2000039125-A1 PIPERIDINES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2000-07-06 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 (3 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R ALDH1A1 1770/4885HDAC6 2872/4885HDAC1 1471/4885
US-20010021718-A1 Procollagen C-proteinase inhibitors MMP1, CTSL, PREP ALDH1A1 1866/4885HDAC6 1777/4885HDAC1 454/4885
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids CPA1, MMP1, PREP ALDH1A1 549/4885HDAC6 1249/4885HDAC1 317/4885

“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.