SCHEMBL24193545

SCHEMBL24193545

COc1ccc(N(C(=O)Nc2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
ESR2 Q92731 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPY5R Q15761 1/20 0.47
MLYCD O95822 1/20 0.47
KMT2A Q03164 2/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL27728396 0.85 MEN1 (0.51) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL6240382 0.80 AKR1C3 (0.48) LMNASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL16518675 0.80 MAPT (0.61) LMNASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL24193445 0.76 CA1 (0.43) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL24193627 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL6250057 0.75 HSD17B10 (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL10434328 0.73 TSHR (0.54) LMNASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL6238617 0.73 KDM4E (0.53) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5074252 0.73 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL19427499 0.72 NPC1 (0.63) SMN1; SMN2ALDH1A1GAAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009900-A1 N-TRIFLUORMETHYLCARBONYL COMPOUNDS AND METHODS FOR THEIR SYNTHESIS RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2022-01-13 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 (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-20220009900-A1 N-TRIFLUORMETHYLCARBONYL COMPOUNDS AND METHODS FOR THEIR SYNTHESIS SCLY, NNMT, NPM1 LMNA 2493/4885SMN1; SMN2 2105/4885ALDH1A1 3687/4885

“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.