SCHEMBL7476322

SCHEMBL7476322

Cc1cc2cccc(Cl)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
ALOX5 P09917 1/20 0.44
PSMB8 P28062 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 2/20 0.37
CHRNA7 P36544 3/20 0.36
HTR3A P46098 3/20 0.36
PPARG P37231 1/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL147113 0.78 ALDH1A1 (0.39) CYP1A2CYP2A6CHRNA7HTR3AALDH1A1
SCHEMBL19756688 0.75 CHRNA7 (0.38) CHRNA7HTR3AALDH1A1
SCHEMBL13893785 0.75 CYP3A4 (0.41) CHRNA7ALDH1A1LMNA
SCHEMBL13885534 0.75 CYP2A6 (0.34) CYP2A6CHRNA7HTR3ALMNAAHR
SCHEMBL2428854 0.75 PSMB8 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23220879 0.75 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2092544 0.75 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL147267 0.75 CHRNA7 (0.36) CYP1A2CHRNA7HTR3AALDH1A1PARP1
SCHEMBL31125053 0.75 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19134517 0.75 ALOX5 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
EP-3154973-B1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
WO-2015191403-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-17 WO disclosed
WO-2015191401-A1 TRICYCLIC COMPOUNDS AS ALPHA- 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-17 WO disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 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 (5 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 HDAC3 2784/4885HDAC4 2496/4885HDAC1 3137/4885
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 HDAC3 2305/4885HDAC4 2067/4885HDAC1 2469/4885
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 HDAC3 389/4885HDAC4 1546/4885HDAC1 490/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 HDAC3 2784/4885HDAC4 2496/4885HDAC1 3137/4885
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 HDAC3 462/4885HDAC4 1638/4885HDAC1 617/4885

“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.