Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889381

SCHEMBL2889381

SCHEMBL2889381

COC(=O)c1cc2cccc(F)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CHRNA7 P36544 7/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ HDAC3 O15379 3/20 0.46
▸ HDAC4 P56524 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RPS6KB1 P23443 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ GSK3A P49840 1/20 0.41

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
SCHEMBL15595465 0.84 KDM4E (0.57) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL29443049 0.84 KDM4E (0.57) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL2889881 0.83 BCL2L1 (0.53) ALDH1A1CHRNA7HTR3AHDAC3HDAC4
SCHEMBL5125588 0.83 HPGD (0.55) ALDH1A1HPGDCHRNA7HDAC3HDAC4
SCHEMBL15384380 0.83 HPGD (0.55) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL2895989 0.83 ALDH1A1 (0.55) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL2895700 0.82 HDAC3 (0.69) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL25094033 0.81 HDAC1 (0.56) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL2897562 0.81 HDAC3 (0.68) ALDH1A1HPGDCHRNA7HTR3AHDAC3
SCHEMBL3258140 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCHRNA7HDAC3HDAC4

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 17 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-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 — — US disclosed
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-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 — — 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-8076355-B2 2-heteroarylcarboxylic acid amides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-13 — — 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-20100222378-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2010-09-02 — — 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
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
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

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 ALDH1A1 1358/4885HPGD 1585/4885CHRNA7 354/4885
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 ALDH1A1 2223/4885HPGD 2229/4885CHRNA7 2/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A ALDH1A1 1358/4885HPGD 1585/4885CHRNA7 354/4885

“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.