SCHEMBL2895883

SCHEMBL2895883

O=C(O)c1cc2ccc3ccccc3c2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 6/20 0.63
GLA P06280 3/20 0.63
HSD17B10 Q99714 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HTT P42858 2/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CHRNA7 P36544 1/20 0.50
CSNK2A1 P68400 4/20 0.49
CSNK2A2 P19784 3/20 0.49
CSNK2B P67870 3/20 0.49
CSNK2A3 Q8NEV1 3/20 0.49
USP2 O75604 1/20 0.49
PTGS1 P23219 1/20 0.49
GPR35 Q9HC97 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL10412478 0.84 ALDH1A1 (0.56) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL8054422 0.83 KDM4E (0.61) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL17211951 0.78 ALDH1A1 (1.00) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL2010000 0.78 MAOA (0.62) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL3605347 0.77 KDM4E (1.00) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL9529549 0.77 KDM4E (0.54) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL17724009 0.76 MAOA (0.51) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL175987 0.76 ALDH1A1 (0.59) HPGDALDH1A1LMNAKDM4EGLA
SCHEMBL9219100 0.76 ADORA3 (0.50) HPGDALDH1A1LMNAKDM4EGLA
Hydrochloric Acid SCHEMBL11652791 0.76 KDM4E (0.97) HPGDALDH1A1LMNAKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US disclosed
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 US disclosed
US-8076355-B2 2-heteroarylcarboxylic acid amides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-13 US disclosed
US-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 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 (3 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-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A HPGD 1585/4885ALDH1A1 1358/4885LMNA 2798/4885
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 HPGD 2229/4885ALDH1A1 2223/4885LMNA 2429/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A HPGD 1585/4885ALDH1A1 1358/4885LMNA 2798/4885

“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.