SCHEMBL809762

SCHEMBL809762

[C-]#[N+]c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 9/20 0.38
NPC1 O15118 8/20 0.38
LMNA P02545 3/20 0.38
ACHE P22303 2/20 0.38
TSHR P16473 2/20 0.38
ALOX12 P18054 1/20 0.38
SYK P43405 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
HPRT1 P00492 1/20 0.37

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
SCHEMBL29463393 1.00 HDAC8 (0.42) HDAC8HDAC6MEN1KMT2APOLB
SCHEMBL30034546 0.84 ALDH1A1 (0.43) HDAC8HDAC6MEN1KMT2ARAB9A
SCHEMBL6056704 0.83 ALDH1A1 (0.44) HDAC8HDAC6HPGDALDH1A1TDP1
SCHEMBL29728236 0.83 ALDH1A1 (0.44) HDAC8HDAC6HPGDALDH1A1TDP1
SCHEMBL29955925 0.82 HDAC8 (0.45) HDAC8HDAC6HPGDALDH1A1MAPK1
SCHEMBL31621698 0.80 CYP1A2 (0.46) HDAC8HDAC6MEN1KMT2ARAB9A
SCHEMBL29955606 0.80 HDAC8 (0.38) HDAC8HDAC6MEN1KMT2APOLB
SCHEMBL8036362 0.80 LMNA (0.50) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL12715983 0.79 HDAC8 (0.48) HDAC8HDAC6MEN1KMT2ARAB9A
SCHEMBL30034508 0.79 MAOB (0.41) MEN1KMT2ARAB9ANPC1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288090-A1 N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-25 US disclosed
US-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2012-02-23 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-8030520-B2 Process for preparing organic compounds by a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halide SALTIGO GMBH (DE) 2011-10-04 US disclosed
US-7968727-B2 Synthesis of 4-bromomethyl-2′-formylbiphenyl and 4-bromomethyl-2′-hydroxymethylbiphenyl and its use in preparation of angiotensin II antagonists LEK PHARMACEUTICALS, D.D. (SI) 2011-06-28 US disclosed
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2010-07-01 US disclosed
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists LEK PHARMACEUTICALS D.D. (SI) 2009-12-24 US disclosed
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2009-10-01 US disclosed
US-7411082-B2 Synthesizing method for compound, and catalyst for synthesis reaction CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2008-08-12 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 (6 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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 HDAC8 1514/4885HDAC6 1057/4885MEN1 4687/4885
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION AGTR1, AGTR2, AGT HDAC8 861/4885HDAC6 2132/4885MEN1 1817/4885
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE MLX, PYM1, CBR3 HDAC8 4807/4885HDAC6 4282/4885MEN1 1391/4885
US-20140288090-A1 N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG HDAC8 418/4885HDAC6 89/4885MEN1 4829/4885
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists GRK4, GRK2, GRK5 HDAC8 1774/4885HDAC6 1907/4885MEN1 598/4885
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE TIMCC, ZFX, TSNAX HDAC8 4049/4885HDAC6 2483/4885MEN1 2113/4885

“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.