SCHEMBL624764

SCHEMBL624764

NC(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.57
EPHX2 P34913 4/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
NLRP1 Q9C000 1/20 0.56
TSHR P16473 1/20 0.56
ERCC1 P07992 3/20 0.55
ERCC4 Q92889 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CNR1 P21554 1/20 0.51
MAPT P10636 1/20 0.51
ALOX12 P18054 1/20 0.51
PPARG P37231 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL626586 0.86 CYP2C9 (0.58) CYP2C9CYP2C19ALDH1A1EPHX2LMNA
SCHEMBL697972 0.84 ALDH1A1 (0.63) ALDH1A1EPHX2LMNAMAPK1NLRP1
SCHEMBL1143386 0.84 ALDH1A1 (0.59) ALDH1A1EPHX2LMNAMAPK1NLRP1
SCHEMBL7976991 0.83 CYP2C9 (0.54) CYP2C9CYP2C19EPHX2ERCC1ERCC4
SCHEMBL6529545 0.82 LMNA (0.60) ALDH1A1EPHX2LMNAMAPK1NLRP1
SCHEMBL972321 0.82 HTT (0.56) ALDH1A1EPHX2LMNAMAPK1NLRP1
Hydrochloric Acid SCHEMBL27828047 0.81 CYP2C9 (0.53) CYP2C9CYP2C19ALDH1A1EPHX2
SCHEMBL1143282 0.81 ALDH1A1 (0.64) ALDH1A1EPHX2LMNAMAPK1NLRP1
SCHEMBL19399635 0.81 ALDH1A1 (0.60) ALDH1A1EPHX2LMNAMAPK1NLRP1
SCHEMBL29334951 0.80 LMNA (0.64) ALDH1A1EPHX2LMNAMAPK1NLRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US claimed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP claimed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US claimed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO claimed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 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 (2 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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB CYP2C9 4511/4885CYP2C19 4178/4885ALDH1A1 4387/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885ALDH1A1 1147/4885

“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.