SCHEMBL6415832

SCHEMBL6415832

Cc1oncc1C(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
ALDH1A1 P00352 3/20 0.68
HSD17B10 Q99714 2/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
TP53 P04637 2/20 0.68
HTT P42858 2/20 0.68
GMNN O75496 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
HTR1A P08908 1/20 0.68
THRB P10828 1/20 0.68
PIM1 P11309 1/20 0.68
CYP2C9 P11712 1/20 0.68
MAOA P21397 1/20 0.68
SLC6A2 P23975 1/20 0.68
HTR2A P28223 1/20 0.68
AGTR1 P30556 1/20 0.68
CCKBR P32239 1/20 0.68

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
SCHEMBL8809733 0.89 RAB9A (0.66) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL6230239 0.87 RAB9A (0.72) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL8812360 0.86 RAB9A (0.70) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL8809191 0.85 NAMPT (0.67) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL20456411 0.84 RAB9A (0.68) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL11441650 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL7558642 0.82 RAB9A (0.65) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL8813278 0.82 RAB9A (0.65) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL15711547 0.82 RAB9A (0.65) RAB9ANPC1ALDH1A1HSD17B10LMNA
SCHEMBL9812368 0.82 RAB9A (0.78) RAB9ANPC1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 US disclosed
US-7691890-B2 Anti-viral uses of leflunomide products Williams, James W. (US) 2010-04-06 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20050158371-A1 Novel external agent SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-07-21 US disclosed
US-6387934-B1 RHEUMATIC DISEASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-14 US disclosed
US-6172103-B1 TREATING BONE DISORDERS, OSTEOPOROSIS, AND ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-09 US disclosed
US-6121316-A BONE DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0829470-B1 2-Cyano-3,5-dihydroxy-hex-2-ene carboxamide derivatives, process for their preparation and their use as medicaments HOECHST AG (DE) 1999-12-15 EP disclosed
EP-0829470-A1 2-Cyano-3,5-dihydroxy-hex-2-ene carboxamide derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-18 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 (5 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG RAB9A 1550/4885NPC1 1397/4885ALDH1A1 4028/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES RAB9A 3453/4885NPC1 2610/4885ALDH1A1 3467/4885
US-20050158371-A1 Novel external agent S100P, FIBP, TSLP RAB9A 4280/4885NPC1 1735/4885ALDH1A1 1633/4885
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS BAK1, DCLRE1B, BLVRB RAB9A 3085/4885NPC1 2327/4885ALDH1A1 4273/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN RAB9A 1324/4885NPC1 1815/4885ALDH1A1 3678/4885

“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.