SCHEMBL4176549

SCHEMBL4176549

O=[C]Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
IDO1 P14902 2/20 0.41
DAO P14920 1/20 0.34
CYP3A4 P08684 2/20 0.33
TPMT P51580 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
ERN1 O75460 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CNR1 P21554 1/20 0.31
SOD1 P00441 1/20 0.31
CYP2C19 P33261 1/20 0.31
DBH P09172 1/20 0.31
PNMT P11086 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL16959378 0.84 DAO (0.38) IDO1DAOERN1
SCHEMBL16953689 0.81 ADRA1D (0.42)
SCHEMBL16960806 0.80 MARS1 (0.39) TP53TAAR1CNR1
SCHEMBL16956811 0.80 P2RX1 (0.38) TSHRIDO1CYP3A4TAAR1CYP2C19
SCHEMBL9818299 0.77 ALDH1A1 (0.39) TSHRIDO1CYP3A4TAAR1PNMT
SCHEMBL1759063 0.77 TAAR1 (0.55) TSHRIDO1CYP3A4TAAR1HTR3E
SCHEMBL6804479 0.75 MAOB (0.47) SOD1
SCHEMBL16953331 0.75 FFAR4 (0.40) CNR1
SCHEMBL17435962 0.75 DAO (0.40) TSHRIDO1DAOCYP3A4TPMT
SCHEMBL465580 0.74 TAAR1 (0.48) IDO1DAOTAAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US claimed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP claimed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 WO claimed
CN-107073042-A Compositions, systems and methods for generating inner ear hair cells to treat hearing loss 布里格海姆妇女医院公司 2017-08-18 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
EP-1885720-A2 4-(THIAZOL-2-YLTHIOALKYL)-PYRAZOLES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2006123088-A2 4- (THIAZOL-2-YLTHIOALKYL) -PYRAZOLES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-11-23 WO disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
EP-0126635-B1 NOVEL OXINDOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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 (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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 TSHR 417/4885IDO1 199/4885DAO 1033/4885

“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.