SCHEMBL4254148

SCHEMBL4254148

COc1cccc(NC(=O)c2cc(F)c(F)cc2OC)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
NPC1 O15118 5/20 0.76
POLB P06746 1/20 0.74
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RXFP1 Q9HBX9 1/20 0.59
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 2/20 0.58
NLRP3 Q96P20 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL4251405 0.80 RXFP1 (0.74) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL6819428 0.79 RAB9A (0.83) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL28870516 0.78 RAB9A (0.71) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL3646230 0.76 RXFP1 (0.68) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL10055020 0.76 NPC1 (0.94) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL4436642 0.76 KCNK3 (0.77) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL3209880 0.76 KDM4E (0.73) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL14784718 0.76 RAB9A (0.67) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL11590109 0.76 KCNK3 (0.68) RAB9ANPC1POLBTP53SMN1; SMN2
SCHEMBL5784671 0.76 MTNR1A (0.64) RAB9ANPC1POLBTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 RAB9A 733/4885NPC1 869/4885POLB 4586/4885

“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.