SCHEMBL20910481

SCHEMBL20910481

CCOc1cnc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN5A Q14524 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL19430888 0.86 LMNA (0.41) SCN9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL19427307 0.85 SCN9A (0.49) SCN9ASMN1; SMN2MAPK1
SCHEMBL23677159 0.83 SCN9A (0.41) SCN9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL23419193 0.82 ACACB (0.43) SCN9ASMN1; SMN2ALDH1A1IDH1
SCHEMBL15599157 0.79 SMN1; SMN2 (0.39) SCN9ASMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL17428846 0.79 SSTR4 (0.45) SCN9ASMN1; SMN2KMT2ACYP1A2CYP3A4
SCHEMBL16770601 0.77 SMN1; SMN2 (0.37) SCN9ASMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL19083678 0.76 CYP1A2 (0.46) SMN1; SMN2LMNAKMT2AALDH1A1MAPK1
SCHEMBL16082402 0.76 SCN9A (0.44) SCN9ACYP3A4SCN5A
SCHEMBL19083879 0.76 CYP1A2 (0.43) SCN9ASMN1; SMN2LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766858-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2020-09-08 US disclosed
US-20190112264-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-18 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-20190112264-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1547/4885SMN1; SMN2 2412/4885LMNA 299/4885
US-10766858-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, SULT2A1 SCN9A 1547/4885SMN1; SMN2 2412/4885LMNA 299/4885

“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.