SCHEMBL3754916

SCHEMBL3754916

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 5/20 0.63
OPRM1 P35372 8/20 0.58
OPRD1 P41143 8/20 0.58
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.52
UBE2N P61088 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 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
Trifluoroacetic Acid SCHEMBL3754919 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL19402494 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL2372443 0.74 OPRM1 (0.52) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL19926219 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL12861292 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL15614663 0.73 MTNR1A (0.48) ALDH1A1
SCHEMBL30142479 0.73 KMT2A (0.59) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL19926220 0.73 KMT2A (0.59) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL19925979 0.73 OPRM1 (0.67) ALDH1A1KMT2AOPRM1OPRD1MEN1
SCHEMBL19397729 0.72 ALDH1A1 (0.56) ALDH1A1KMT2AOPRM1OPRD1MEN1

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-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D ALDH1A1 1048/4885KMT2A 943/4885OPRM1 271/4885

“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.