SCHEMBL3338581

SCHEMBL3338581

c1ccc(Cc2nc3ccccc3[nH]2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61
F7 P08709 1/20 0.61
GAA P10253 1/20 0.60
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
LMNA P02545 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2E1 P05181 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGFR P00533 1/20 0.56
DDAH1 O94760 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 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
SCHEMBL15552138 0.83 GAA (0.55) GAANPC1RAB9ALMNAEGFR
SCHEMBL24520481 0.83 POLB (0.68) NPC1RAB9ALMNACYP1A2CYP2E1
SCHEMBL13947376 0.82 F2 (0.64) F2F10F7GAANPC1
SCHEMBL230024 0.82 GAA (0.78) F2F10F7GAANPC1
SCHEMBL15778057 0.81 BCHE (0.65) GAANPC1RAB9ALMNACYP1A2
SCHEMBL6994153 0.79 GAA (0.58) F2F10F7GAANPC1
SCHEMBL6994149 0.79 GAA (0.58) F2F10F7GAANPC1
SCHEMBL13909540 0.77 CXCR4 (0.58) GAANPC1RAB9ALMNACYP1A2
SCHEMBL7409704 0.77 F10 (1.00) F2F10F7
SCHEMBL6162109 0.77 F10 (0.82) F2F10F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP claimed
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP claimed
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
US-7528251-B2 Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA SA (LU) 2009-05-05 US disclosed
EP-1802620-B1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S A (LU) 2008-12-17 EP disclosed
US-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives SIDEM PHARMA SA (LU) 2007-12-27 US disclosed
EP-1802620-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES Sidem Pharma (LU) 2007-07-04 EP disclosed
EP-1740571-A1 A PROCESS FOR PREPARING PYRIDINYLMETHYL-1H- BENZIMIDAZOLE COMPOUNDS IN ENANTIOMERICALLY ENRICHED FORM OR AS SINGLE ENANTIOMERS Hetero Drugs Limited (IN) 2007-01-10 EP disclosed
WO-2006037894-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S.A. (LU) 2006-04-13 WO disclosed
WO-2005105786-A1 A PROCESS FOR PREPARING PYRIDINYLMETHYL-1H- BENZIMIDAZOLE COMPOUNDS IN ENANTIOMERICALLY ENRICHED FORM OR AS SINGLE ENANTIOMERS HETERO DRUGS LIMITED (IN) 2005-11-10 WO disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 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-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives TST, ADH1A, ADH1C F2 397/4885F10 1387/4885F7 564/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 F2 4715/4885F10 4170/4885F7 3110/4885

“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.