SCHEMBL2157245

SCHEMBL2157245

N#Cc1c(Cl)c(-c2cccnc2)n2c1C(=O)C(Cl)(Cl)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.42
CYP11B1 P15538 2/20 0.42
MAOA P21397 1/20 0.42
KMT2A Q03164 2/20 0.38
ADORA2A P29274 3/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 2/20 0.36
ADORA1 P30542 2/20 0.35
TSHR P16473 2/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
CYP1A2 P05177 1/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA2B P29275 1/20 0.33

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
SCHEMBL2344003 0.84 CYP11B1 (0.36) CYP11B2CYP11B1MAOAKMT2AALDH1A1
SCHEMBL2343998 0.84 CYP11B2 (0.37) CYP11B2CYP11B1MAOAKMT2AALDH1A1
SCHEMBL2158156 0.81 MKNK1 (0.39) CYP11B2CYP11B1CYP1A2IKBKB
SCHEMBL2157283 0.79 CYP11B2 (0.44) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL7590184 0.76 CYP11B2 (0.46) CYP11B2CYP11B1MAOAKMT2AADORA2A
Hydrochloric Acid SCHEMBL7585391 0.75 CYP11B2 (0.45) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL2158205 0.74 KDM4E (0.45) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL7952767 0.72 CYP11B2 (0.44) CYP11B2CYP11B1MAOAKMT2AKDM4E
SCHEMBL7592502 0.71 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL2158233 0.71 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 CYP11B2 164/4885CYP11B1 117/4885MAOA 826/4885
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 CYP11B2 139/4885CYP11B1 130/4885MAOA 2075/4885

“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.