SCHEMBL4247072

SCHEMBL4247072

CNc1ccc(C(=O)Nc2cccc(OC)c2)cc1C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.62
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
ALDH1A1 P00352 3/20 0.61
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
NLRP3 Q96P20 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL4250159 0.88 RAB9A (0.58) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4247305 0.88 RAB9A (0.58) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4250840 0.86 RAB9A (0.56) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4254188 0.86 RAB9A (0.56) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL3644605 0.86 RXFP1 (0.65) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4249452 0.85 MAPT (0.56) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL3641085 0.85 RAB9A (0.83) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL4251690 0.84 RAB9A (0.56) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL22065404 0.81 RXFP1 (0.68) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL10055020 0.79 NPC1 (0.94) RXFP1RAB9ANPC1ALDH1A1TP53

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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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
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 RXFP1 170/4885RAB9A 733/4885NPC1 869/4885

“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.