SCHEMBL186087

SCHEMBL186087

Nc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 2/20 0.46
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ACHE P22303 2/20 0.38
KEAP1 Q14145 1/20 0.38
HTT P42858 1/20 0.37
KDM1A O60341 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL29978561 1.00 KIF11 (0.48) KIF11ALDH1A1IDO1GAAGLA
SCHEMBL185520 0.81 ALDH1A1 (0.52) KIF11ALDH1A1IDO1GAAGLA
SCHEMBL14443262 0.79 ALDH1A1 (0.44) KIF11ALDH1A1GAAKEAP1HTT
Hydrochloric Acid SCHEMBL8996706 0.79 IDO1 (0.52) KIF11ALDH1A1IDO1GAAGLA
Hydrochloric Acid SCHEMBL4372850 0.79 IDO1 (0.52) KIF11ALDH1A1IDO1GAAGLA
SCHEMBL711538 0.78 TSHR (0.60) KIF11ALDH1A1GAAGLAPOLB
SCHEMBL29460325 0.78 TSHR (0.60) KIF11ALDH1A1GAAGLAPOLB
SCHEMBL8174858 0.78 KIF11 (0.61) KIF11ALDH1A1GAAGLAPOLB
SCHEMBL7601736 0.77 IDO1 (0.50) KIF11IDO1GAAGLAPOLB
SCHEMBL330502 0.76 ALDH1A1 (0.52) KIF11ALDH1A1GAAGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022228449-A1 PREPARATION METHOD FOR POLYIMIDE RESIN AND THIN FILM THEREOF 上海瑞暨新材料科技有限公司 2022-11-03 WO claimed
CN-113201136-B Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2022-01-07 CN claimed
CN-113201136-A Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2021-08-03 CN claimed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2022228449-A1 PREPARATION METHOD FOR POLYIMIDE RESIN AND THIN FILM THEREOF 上海瑞暨新材料科技有限公司 2022-11-03 WO disclosed
CN-113201136-B Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2022-01-07 CN disclosed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
CN-113201136-A Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2021-08-03 CN disclosed
US-10158092-B2 Organic electronic component with dopant, use of a dopant and method for the production of the dopant OSRAM OLED GMBH (DE) 2018-12-18 US disclosed
EP-2768926-B1 ORGANIC ELECTRONIC COMPONENT WITH DOPANT, USE OF A DOPANT AND METHOD FOR THE PRODUCTION OF THE DOPANT OSRAM OLED GMBH (DE) 2018-09-19 EP disclosed
US-20180108849-A1 Organic Electronic Component with Dopant, Use of a Dopant and Method for the Production of the Dopant OSRAM OLED GMBH (DE) 2018-04-19 US disclosed
CN-102952039-A Synthesis method of 4-chloro-2-trifluoromethylbenzonitrile DALIAN JOIN KING BIOLOG CHEMICAL TECHNOLOGY CO LTD 2013-03-06 CN disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-0315863-B1 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1993-11-18 EP disclosed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
EP-0315863-A2 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1989-05-17 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 (3 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-10158092-B2 Organic electronic component with dopant, use of a dopant and method for the production of the dopant AOC2, DDT, AOC1 KIF11 3961/4885ALDH1A1 794/4885IDO1 181/4885
US-20180108849-A1 Organic Electronic Component with Dopant, Use of a Dopant and Method for the Production of the Dopant TYR, DDT, AOC2 KIF11 3886/4885ALDH1A1 342/4885IDO1 18/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KIF11 2637/4885ALDH1A1 1000/4885IDO1 3069/4885

“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.