Sugi Predict

Sugi Predict / Compounds / SCHEMBL321041

SCHEMBL321041

SCHEMBL321041

C/C=C/c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.58
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ RELA Q04206 1/20 0.56
▸ CHRM5 P08912 1/20 0.54
▸ FBP1 P09467 1/20 0.53
▸ MAOB P27338 6/20 0.49
▸ MAOA P21397 3/20 0.45
▸ NFE2L2 Q16236 3/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ CYP1A1 P04798 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL1668240 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL771273 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL29983358 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL699364 0.85 CHAT (0.67) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL699365 0.85 CHAT (0.67) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL335941 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL29033283 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL335942 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL575075 0.81 — —
SCHEMBL11471054 0.81 CYP1A2 (0.61) CHATCYP1A2CYP2C9RELACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 — — US disclosed
CN-112299946-A Method for synthesizing 1, 2-disubstituted olefin by reacting terminal group olefin with sulfoxide 沅江华龙催化科技有限公司 2021-02-02 — — CN disclosed
CN-112299945-A Method for synthesizing alkyl olefin by coupling double-bond carbon-hydrogen bond and saturated carbon-hydrogen bond 沅江华龙催化科技有限公司 2021-02-02 — — CN disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 — — US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 — — US disclosed
US-9833421-B2 Method for synthesizing (E)-anethol and related compounds by cross coupling reaction of potassium allyltrifluroborate and 4-bromoanisole and aryl halides TENNESSEE BOARD OF REGENTS (US) 2017-12-05 — — US disclosed
WO-2017173975-A1 METHOD FOR SYNTHESIZING COMPOUND CONTAINING NON-TERMINAL DOUBLE BOND 中国科学院福建物质结构研究所 2017-10-12 — — WO disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 — — US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 — — US disclosed
US-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 — — US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 — — US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 — — WO disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 — — WO disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 — — EP disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 — — EP disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD CHAT 964/4885CYP1A2 3513/4885CYP2C9 2583/4885
US-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CHAT 3415/4885CYP1A2 3639/4885CYP2C9 4605/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CHAT 3994/4885CYP1A2 104/4885CYP2C9 11/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CHAT 3415/4885CYP1A2 3639/4885CYP2C9 4605/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 CHAT 4511/4885CYP1A2 614/4885CYP2C9 2544/4885

“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.