SCHEMBL2158205

SCHEMBL2158205

N#Cc1c(Cl)c(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ABCC1 P33527 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 1/20 0.45
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PTGS2 P35354 3/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL7587234 0.88 ABCC1 (0.44) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7954850 0.86 ABCC1 (0.43) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7590017 0.85 CYP11B2 (0.44) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7953813 0.85 ABCC1 (0.43) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7955035 0.82 ABCC1 (0.43) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7953497 0.82 CYP11B2 (0.42) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7953612 0.82 ABCC1 (0.41) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7946473 0.82 ABCC1 (0.43) KDM4EABCC1HSD17B10HTTTSHR
SCHEMBL7588829 0.81 RXFP1 (0.36) KDM4EABCC1HTTTSHRCYP11B2
SCHEMBL2157283 0.81 CYP11B2 (0.44) KDM4EHSD17B10HTTTSHRCYP11B2

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 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 KDM4E 2017/4885ABCC1 1336/4885HSD17B10 991/4885
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 KDM4E 710/4885ABCC1 3955/4885HSD17B10 569/4885

“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.