SCHEMBL40098

SCHEMBL40098

COc1ccc(C(F)(F)F)cc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR2 O15552 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
IDO1 P14902 1/20 0.40
CETP P11597 5/20 0.40
GAA P10253 1/20 0.40
KCNQ3 O43525 1/20 0.39

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
SCHEMBL30002118 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL321002 0.86 ANO1 (0.44) L3MBTL1RAB9AHTR2ASLC6A4KCNH2
SCHEMBL9886157 0.84 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL195601 0.84 KMT2A (0.46) L3MBTL1HTR2ACETP
SCHEMBL40119 0.82 L3MBTL1 (0.47) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL30002156 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL28465158 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL4064597 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6FFAR1
SCHEMBL28412587 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1
Hydrochloric Acid SCHEMBL30117084 0.81 L3MBTL1 (0.46) HDAC3HDAC1HDAC2HDAC6FFAR1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
EP-3523277-B1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE OVERSEAS SARL (LU) 2021-06-30 EP disclosed
US-20190315687-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-10-17 US disclosed
US-10399940-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2019-09-03 US disclosed
EP-3523277-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS Abbvie S.a.r.l. (LU) 2019-08-14 EP disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
WO-2018065921-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE S.Á.R.L. (LU) 2018-04-12 WO disclosed
EP-2797893-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-11-22 EP disclosed
EP-2797893-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-11-22 EP disclosed
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (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-20190315687-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 HDAC3 1099/4885HDAC1 2025/4885HDAC2 2102/4885
US-10399940-B2 Substituted pyrrolidines and methods of use CFTR, PKD1, PKD2 HDAC3 1099/4885HDAC1 2025/4885HDAC2 2102/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 HDAC3 1099/4885HDAC1 2025/4885HDAC2 2102/4885
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R HDAC3 968/4885HDAC1 929/4885HDAC2 1242/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R HDAC3 1992/4885HDAC1 2109/4885HDAC2 2387/4885

“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.