SCHEMBL879948

SCHEMBL879948

COc1cc(C)cc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
TSHR P16473 2/20 0.60
CYP3A4 P08684 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP19A1 P11511 2/20 0.41
NQO2 P16083 1/20 0.41
HTR6 P50406 1/20 0.40
PTPN1 P18031 1/20 0.39
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL145855 0.87 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2ACHE
SCHEMBL29587173 0.84 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4SMN1; SMN2ACHE
SCHEMBL5800828 0.84 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL116606 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4SMN1; SMN2TDP1MAPK1
SCHEMBL7188789 0.82 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4SMN1; SMN2ACHE
SCHEMBL21611343 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TDP1MAPK1
SCHEMBL30365875 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TDP1MAPK1
Ammonia Solution, Strong SCHEMBL10988442 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TDP1MAPK1
Hydrochloric Acid SCHEMBL3275940 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TDP1MAPK1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1TSHRCYP3A4ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112563571-A Additive for battery, secondary battery, battery module, battery pack and device 宁德时代新能源科技股份有限公司 2021-03-26 CN claimed
CN-111909113-A Synthesis method of 2-substituted benzothiazole compound under catalyst-free and additive-free conditions 衡阳师范学院 2020-11-10 CN claimed
CN-111704590-A Synthesis method of iron-catalyzed 2-arylbenzothiazole compound 衡阳师范学院 2020-09-25 CN claimed
US-9249091-B2 Post-treated sulfurized salt of an alkyl-substituted hydroxyaromatic composition CHEVRON ORONITE COMPANY LLC (US) 2016-02-02 US claimed
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-06-27 US claimed
US-7056986-B2 ethylene monomer can be a vinyl ketone, ether, ester, halide, nitrile, aromatic, or an allyl ether; acrylic monomer can be a mono- or diacid or monoester of a diacid; a monoamine, a guanidine compound, and an aromatic diamine; improved vulcanizability, balance between processability and compression set DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-06-06 US claimed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
WO-2024182747-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
EP-4289830-A1 NLRP3 INFLAMMASOME SMALL-MOLECULE INHIBITOR FOR TREATMENT OF ALZHEIMER'S DISEASE Ajou University Industry-Academic Cooperation Foundation (KR) 2023-12-13 EP disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES NOVOGEN RESEARCH PTY LIMITED (AU) 2008-11-20 US disclosed
US-7419998-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2008-09-02 US disclosed
US-7056986-B2 ethylene monomer can be a vinyl ketone, ether, ester, halide, nitrile, aromatic, or an allyl ether; acrylic monomer can be a mono- or diacid or monoester of a diacid; a monoamine, a guanidine compound, and an aromatic diamine; improved vulcanizability, balance between processability and compression set DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-06-06 US disclosed
US-20040266922-A1 Ethylene-acrylic copolymer rubber composition DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-12-30 US disclosed
EP-1449881-A1 ACRYLIC RUBBER COMPOSITION DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-08-25 EP disclosed
US-4560746-A MONOAZO DYES, 2-(2-QUINOLYL)-1,3-INDANEDIONESULFONIC ACID THE HILTON-DAVIS CHEMICAL CO. (US) 1985-12-24 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 (6 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885TSHR 3668/4885CYP3A4 3136/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S ALDH1A1 685/4885TSHR 2676/4885CYP3A4 402/4885
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION TST, PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 814/4885TSHR 4066/4885CYP3A4 2118/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885TSHR 3668/4885CYP3A4 3136/4885
US-20080287528-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ISOFLAVONES C1R, ESRRA, ESRRB ALDH1A1 1726/4885TSHR 1121/4885CYP3A4 1461/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885TSHR 3668/4885CYP3A4 3136/4885

“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.