SCHEMBL2776888

SCHEMBL2776888

CC(C)(C)[N]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 2/20 0.48
MIF P14174 1/20 0.48
HPGD P15428 1/20 0.48
SLC6A2 P23975 3/20 0.44
TAAR1 Q96RJ0 3/20 0.44
NOS2 P35228 1/20 0.43
TP53 P04637 1/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL8631737 0.79 CYP3A4 (0.43) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL1852585 0.78 CYP3A4 (0.46) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL5548041 0.75 ALDH1A1 (0.43) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL11430985 0.73 CYP3A4 (0.52) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL1653 0.72 ALDH1A1 (0.55) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL2270 0.70
SCHEMBL3092125 0.70
SCHEMBL21675914 0.70 MIF (0.48) CYP3A4ALDH1A1TRPA1MIFHPGD
SCHEMBL6989114 0.70 CYP2D6 (0.48) SLC6A2CYP2D6LMNASLC6A4SIGMAR1
SCHEMBL15863522 0.70 MIF (0.60) CYP3A4ALDH1A1TRPA1MIFHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
EP-4159212-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2023-04-05 EP disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 CN disclosed
US-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD FULCRUM THERAPEUTICS INC (US) 2022-05-05 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
CN-1083070-A Steroid derivatives for the treatment of prostatic hypertrophy, process for their preparation and their use SANKYO CO (JP) 1994-03-02 CN disclosed
US-5260446-A Azo dye precursors BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0433879-A2 Aminothiazoles BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 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-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 CYP3A4 4268/4885ALDH1A1 4699/4885TRPA1 4772/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CYP3A4 4138/4885ALDH1A1 1429/4885TRPA1 3112/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B CYP3A4 4834/4885ALDH1A1 3383/4885TRPA1 1016/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CYP3A4 4834/4885ALDH1A1 3383/4885TRPA1 1016/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT CYP3A4 4138/4885ALDH1A1 1429/4885TRPA1 3112/4885

“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.