SCHEMBL6903841

SCHEMBL6903841

Cc1c(C=O)cc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.39
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL1349492 0.81 ERN1 (0.39) ERN1ALDH1A1TSHRSMN1; SMN2GRIA1
SCHEMBL4746714 0.81 ERN1 (0.39) ERN1ALDH1A1TSHRSMN1; SMN2GRIA1
SCHEMBL29955919 0.81 ERN1 (0.39) ERN1ALDH1A1TSHRSMN1; SMN2GRIA1
SCHEMBL295466 0.77 ERN1 (0.43) ERN1TDP1CES2CES1
SCHEMBL2485696 0.76
SCHEMBL14033478 0.74 ERN1 (0.52) ERN1ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL15085652 0.74 ALDH1A1 (0.38) ERN1ALDH1A1TSHRSMN1; SMN2GRIA1
SCHEMBL12450080 0.74 ERN1 (0.52) ERN1ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL4293546 0.74 ERN1 (0.42) ERN1ALDH1A1TSHRTDP1PTGS1
SCHEMBL29953689 0.74 ERN1 (0.52) ERN1ALDH1A1TSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310510-A2 Topologically segregated, encoded solid phase libraries SELECTIDE CORPORATION (US) 2003-05-14 EP claimed
CN-117623897-A Preparation method of o-trifluoromethyl benzoic acid 浙江巍华新材料股份有限公司 2024-03-01 CN disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
CN-114436810-A Method for preparing o-trifluoromethylbenzoic acid 宁夏忠同生物科技有限公司 2022-05-06 CN disclosed
CN-101168496-A Method for preparing 2-(Trifluoromethyl)benzaldehyde GAOYOU GUANGMING CHEMICAL FACT (CN) 2008-04-30 CN disclosed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US disclosed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US disclosed
WO-2000053313-A2 LANTHANIDE CATALYSTS FOR SYNTHESIS OF COMPOUNDS AND COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-14 WO disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
EP-0371492-A2 Process for the preparation of 1,4-dihydropyridine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-06-06 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 (2 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-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD ERN1 2932/4885ALDH1A1 2771/4885TSHR 3974/4885
US-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ERN1 1037/4885ALDH1A1 709/4885TSHR 3776/4885

“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.