SCHEMBL5063281

SCHEMBL5063281

CNc1c[nH]c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NOTUM Q6P988 2/20 0.42
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
DAO P14920 5/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.36
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
CYP2C19 P33261 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 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
SCHEMBL18236158 0.82 CREBBP (0.61) ALDH1A1CREBBPKDM4ENPC1DAO
SCHEMBL8103043 0.80 BAZ2B (0.53) ALDH1A1CREBBPGAALMNA
SCHEMBL15318227 0.80 HSD17B10 (0.45) TDP1SMN1; SMN2NOTUMRAB9AALDH1A1
Hydrochloric Acid SCHEMBL653318 0.79 BAZ2B (0.51) ALDH1A1CREBBPGAALMNA
SCHEMBL8749077 0.77 TDP1 (0.42) TDP1SMN1; SMN2NOTUMRAB9ANPC1
SCHEMBL1337277 0.71
SCHEMBL874851 0.71
SCHEMBL14269441 0.71 DAO (0.44) ALDH1A1CREBBPKDM4ENPC1DAO
SCHEMBL5058082 0.70 NPC1 (0.38) TDP1SMN1; SMN2RAB9ANPC1HSP90AA1
SCHEMBL70598 0.69 SMN1; SMN2 (0.62) TDP1SMN1; SMN2NOTUMRAB9AALDH1A1

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-20080234132-A1 Microcin B17 Analogs And Methods For Their Preparation And Use PLANT BIOSCIENCE LIMITED (GB) 2008-09-25 US disclosed
US-6906199-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-06-14 US disclosed
US-20050014700-A1 Cbi analogues of cc-1065 and the duocarmycins SCRIPPS RESEARCH INSTITUTE THE 2005-01-20 US disclosed
EP-1347958-B1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA SPA (IT) 2005-01-19 EP disclosed
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 WO disclosed
US-20040077550-A1 Process for preparing distamycin derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2004-04-22 US disclosed
EP-1347958-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES Pharmacia Italia S.p.A. (IT) 2003-10-01 EP disclosed
US-6566336-B1 For therapy and prophylaxis of various gene- inducible diseases JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-05-20 US disclosed
WO-2002044147-A1 PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES PHARMACIA ITALIA S.P.A. (IT) 2002-06-06 WO disclosed
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 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 (4 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-20080234132-A1 Microcin B17 Analogs And Methods For Their Preparation And Use MCM3, MCM7, CCNB3 TDP1 1687/4885SMN1; SMN2 4080/4885NOTUM 2520/4885
US-20050014700-A1 Cbi analogues of cc-1065 and the duocarmycins DCK, CCNI, DDB1 TDP1 342/4885SMN1; SMN2 3238/4885NOTUM 2771/4885
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 TDP1 90/4885SMN1; SMN2 3518/4885NOTUM 1466/4885
US-20040077550-A1 Process for preparing distamycin derivatives MRPL21, RPN1, HSP90B1 TDP1 3429/4885SMN1; SMN2 2614/4885NOTUM 4362/4885

“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.