SCHEMBL17260100

SCHEMBL17260100

C=CCc1cc(OC(F)(F)F)ccc1NC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
TEAD1 P28347 2/20 0.44
TEK Q02763 2/20 0.42
EPHB4 P54760 1/20 0.41
FGFR4 P22455 1/20 0.41
EGFR P00533 2/20 0.40
ITK Q08881 1/20 0.40
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.38
TGM2 P21980 3/20 0.38
KCNK2 O95069 1/20 0.37
KCNK10 P57789 1/20 0.37
KDM4E B2RXH2 1/20 0.36
BTK Q06187 1/20 0.35
BRD4 O60885 1/20 0.35
TEAD4 Q15561 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
SCHEMBL30511169 0.80 TGM2 (0.54) ALDH1A1TEAD1TEKEPHB4FGFR4
SCHEMBL23037016 0.80 TGM2 (0.54) ALDH1A1TEAD1TEKEPHB4FGFR4
SCHEMBL1269021 0.78 TGM2 (0.50) ALDH1A1TEKFGFR4EGFRITK
SCHEMBL15941656 0.77 GAA (0.48) GAAALDH1A1POLBTHRBTEAD1
SCHEMBL23044925 0.75 ALDH1A1 (0.46) GAAALDH1A1POLBTHRBTEAD1
SCHEMBL7071749 0.75 CHEK1 (0.41) GAAALDH1A1POLBTHRBKMT2A
SCHEMBL23060201 0.74 GSTO1 (0.47) GAAALDH1A1POLBTHRBTEAD1
SCHEMBL30459766 0.73 KMT2A (0.68) ALDH1A1TEKEPHB4KMT2AEPHX2
SCHEMBL17260094 0.72 NPC1 (0.38) GAAKMT2AKDM4E
SCHEMBL30684939 0.71 EGFR (0.65) GAAALDH1A1TEKEPHB4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536512-B Carboxamides derivatives 诺华股份有限公司 2019-06-07 CN disclosed
EP-3143014-B1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2018-10-24 EP disclosed
US-9931319-B2 Carboxamide derivatives NOVARTIS AG (CH) 2018-04-03 US disclosed
EP-3143014-A1 CARBOXAMIDE DERIVATIVES Novartis AG (CH) 2017-03-22 EP disclosed
US-20170000770-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2017-01-05 US disclosed
US-9403833-B2 Carboxamide derivatives NOVARTIS AG (CH) 2016-08-02 US disclosed
WO-2015177646-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-26 WO disclosed
US-20150329549-A1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-19 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 (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-20170000770-A1 CARBOXAMIDE DERIVATIVES SIRT5, SIRT7, ADCY5 GAA 919/4885ALDH1A1 350/4885POLB 3845/4885
US-20150329549-A1 CARBOXAMIDE DERIVATIVES CNR2, SIRT7, SLC5A2 GAA 1354/4885ALDH1A1 821/4885POLB 4299/4885

“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.