SCHEMBL12293178

SCHEMBL12293178

CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.52
MAOB P27338 4/20 0.52
IDO1 P14902 1/20 0.48
KIF11 P52732 2/20 0.46
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN2A Q99250 2/20 0.43
MAOA P21397 2/20 0.43

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
SCHEMBL26566412 0.94 KDM1A (0.56) KDM1AMAOBIDO1DHODHKDM4E
SCHEMBL30153536 0.90 KIF11 (0.51) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL25066857 0.90 KIF11 (0.51) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL1416558 0.90 KDM1A (0.61) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL25066850 0.84 KIF11 (0.46) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL16906523 0.83 KDM1A (0.50) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL25066864 0.82 KIF11 (0.44) KDM1AMAOBIDO1KIF11DHODH
SCHEMBL26326890 0.81 CYP3A4 (0.51) KDM1AMAOBKIF11DHODHCYP3A4
SCHEMBL25066872 0.80 CNR1 (0.43) KDM1AMAOBKIF11DHODHALDH1A1
SCHEMBL16903683 0.80 KIF11 (0.45) KDM1AMAOBIDO1KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 KDM1A 2485/4885MAOB 2848/4885IDO1 1801/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B KDM1A 3518/4885MAOB 941/4885IDO1 3840/4885

“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.