SCHEMBL16765774

SCHEMBL16765774

COc1ccc(C=CC(=O)n2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
F3 P13726 2/20 0.54
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
GSK3B P49841 2/20 0.51
GAA P10253 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
GPR183 P32249 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL14375119 1.00 CYP1A2 (0.55) CYP1A2CYP2D6CYP1A1CYP1B1F3
SCHEMBL18374565 0.85 CYP24A1 (0.46) CYP1A2CYP2D6CYP1A1CYP1B1F3
SCHEMBL23285244 0.84 MAOB (0.56) CYP1A2CYP2D6GPR183NPC1RAB9A
SCHEMBL19188581 0.83 CYP1A2 (0.48) CYP1A2CYP2D6CYP1A1CYP1B1F3
SCHEMBL22416556 0.82 TYR (0.49) CYP1A2CYP2D6F3GSK3BHDAC3
SCHEMBL18374566 0.82 TBXAS1 (0.49) CYP1A2CYP2D6GAANPC1RAB9A
SCHEMBL4715046 0.81 MAOB (0.56) CYP1A2CYP2D6GPR183MEN1MAPT
SCHEMBL5201692 0.81 CYP24A1 (0.54) CYP1A2CYP2D6CYP1A1CYP1B1F3
SCHEMBL1186024 0.81 CYP24A1 (0.54) CYP1A2CYP2D6CYP1A1CYP1B1F3
SCHEMBL14375126 0.81 TRIM24 (0.47) CYP1A2CYP1A1CYP1B1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968415-A Ultraviolet curable composition and use thereof 陶氏东丽株式会社 2025-05-09 CN disclosed
CN-107540617-B Imidazole compound, metal surface treatment liquid, metal surface treatment method, and method for producing laminate 东京应化工业株式会社 2020-12-18 CN disclosed
CN-106687447-B Imidazole compound, metal surface treatment liquid, metal surface treatment method, and method for producing laminate 东京应化工业株式会社 2020-06-02 CN disclosed
EP-2883868-B1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORP (JP) 2019-10-09 EP disclosed
EP-3514145-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2019-07-24 EP disclosed
US-10336708-B2 Imidazole compound, metal surface treatment liquid, metal surface treatment method, and laminate production method TOKYO OHKA KOGYO CO., LTD. (JP) 2019-07-02 US disclosed
EP-3184511-B1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD TOKYO OHKA KOGYO CO LTD (JP) 2019-03-20 EP disclosed
US-20170247334-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2017-08-31 US disclosed
EP-3184511-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-06-28 EP disclosed
US-9206138-B2 Crystal containing unsaturated carboxylic acid amide compound and method for producing same DAICEL CORPORATION (JP) 2015-12-08 US disclosed
US-20150299135-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORPORATION (JP) 2015-10-22 US disclosed
EP-2883869-A1 CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME Daicel Corporation (JP) 2015-06-17 EP disclosed
EP-2883868-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME Daicel Corporation (JP) 2015-06-17 EP disclosed
US-20150158820-A1 CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORPORATION (JP) 2015-06-11 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 (4 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-10336708-B2 Imidazole compound, metal surface treatment liquid, metal surface treatment method, and laminate production method FASN, SLC27A1, SLC27A2 CYP1A2 662/4885CYP2D6 1660/4885CYP1A1 1718/4885
US-20170247334-A1 IMIDAZOLE COMPOUND, METAL SURFACE TREATMENT LIQUID, METAL SURFACE TREATMENT METHOD, AND LAMINATE PRODUCTION METHOD FASN, SLC27A1, SLC27A2 CYP1A2 662/4885CYP2D6 1660/4885CYP1A1 1718/4885
US-20150299135-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME ACSL1, FFAR2, FADS2 CYP1A2 192/4885CYP2D6 1046/4885CYP1A1 588/4885
US-20150158820-A1 CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME FFAR1, FFAR2, FFAR3 CYP1A2 162/4885CYP2D6 610/4885CYP1A1 236/4885

“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.