SCHEMBL836606

SCHEMBL836606

CC(=O)c1cccc(N)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
PIK3CA P42336 1/20 0.54
MMP2 P08253 1/20 0.45
ALDH1A1 P00352 10/20 0.45
BRD4 O60885 1/20 0.45
HSD17B10 Q99714 5/20 0.44
CFTR P13569 1/20 0.44
KDM4E B2RXH2 8/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
Butanedione SCHEMBL28072237 0.96 TSHR (0.50) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL27995162 0.86 ALDH1A1 (0.42) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL27639719 0.84 CYP3A4 (0.56) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL29622715 0.83 MMP2 (0.61) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL412192 0.83 MMP2 (0.61) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL529786 0.83 TSHR (0.54) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL6405519 0.83 CYP3A4 (0.54) CYP3A4TSHRPIK3CAMMP2ALDH1A1
Hydrochloric Acid SCHEMBL10708599 0.81 MMP2 (0.59) CYP3A4TSHRPIK3CAMMP2ALDH1A1
Hydrochloric Acid SCHEMBL27561052 0.81 TSHR (0.52) CYP3A4TSHRPIK3CAMMP2ALDH1A1
SCHEMBL4605083 0.81 CYP3A4 (0.52) CYP3A4TSHRPIK3CAMMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111748214-A Antibacterial ABS plastic preparation process 田虹 2020-10-09 CN claimed
CN-121135709-A Benzo [ b ] [1,6] naphthyridine compound and preparation method and application thereof 河北科技大学 2025-12-16 CN disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
CN-111748214-A Antibacterial ABS plastic preparation process 田虹 2020-10-09 CN disclosed
WO-2019014352-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-17 WO disclosed
CN-108147972-A A kind of preparation method of Wei Patawei intermediates and the like 成都西岭源药业有限公司 2018-06-12 CN disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-6576596-B1 Compatible with crop plants BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
CN-1106385-C Substituted 4-benzoyl-pyrazoles BASF AG (DE) 2003-04-23 CN disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO disclosed
EP-0958276-B1 SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AG (DE) 2002-03-13 EP disclosed
CN-1247532-A Substituted 4-benzoylpyrazoles BASF AG (DE) 2000-03-15 CN disclosed
CN-1245488-A Substituted 2-benzoyl-cyclohexan-1,3-diones with herbicidal effect BASF AG (DE) 2000-02-23 CN disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP disclosed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP 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 (1 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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN CYP3A4 2910/4885TSHR 1979/4885PIK3CA 3475/4885

“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.