SCHEMBL3333868

SCHEMBL3333868

Clc1ccc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
HPGD P15428 6/20 0.67
MAPT P10636 5/20 0.67
RAB9A P51151 5/20 0.67
ALDH1A1 P00352 5/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
STAT1 P42224 1/20 0.67
LDHA P00338 1/20 0.66
EPHX2 P34913 1/20 0.66
HTT P42858 3/20 0.58
CYP11B1 P15538 1/20 0.58
NPY5R Q15761 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
FTO Q9C0B1 1/20 0.54

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
SCHEMBL15245183 0.93 KDM4E (0.62) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL11219267 0.88 MAPT (0.70) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL3335842 0.83 KDM4E (0.76) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL3424059 0.82 MAPT (0.67) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL10175464 0.82 CYP11B1 (0.79) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL3541175 0.82 MAPT (0.79) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL8054731 0.82 MAPT (0.67) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL7164761 0.81 RHEB (0.69) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL3336441 0.81 KDM4E (0.59) KDM4EHPGDMAPTRAB9AALDH1A1
SCHEMBL15427088 0.81 MAPT (0.57) KDM4EHPGDMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
US-4336257-A XANTHINE OXIDASE INHIBITORS OR ANTIHYPERTENSIVE AGENTS MERCK & CO., INC. (US) 1982-06-22 US disclosed
US-4281005-A XANTHINE OXIDASE INHIBITORS AND AS ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1981-07-28 US 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 KDM4E 3053/4885HPGD 13/4885MAPT 4128/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 KDM4E 220/4885HPGD 527/4885MAPT 685/4885

“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.