SCHEMBL4250786

SCHEMBL4250786

CN(C(=O)c1cccc(F)c1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSD17B2 P37059 3/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MDM2 Q00987 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B1 P14061 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 2/20 0.45

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
SCHEMBL8080833 0.82 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27447806 0.81 KMT2A (0.54) HSD17B2HTTL3MBTL1HSD17B1CES2
SCHEMBL7455084 0.79 HSD17B2 (0.47) HSD17B2ALDH1A1MAPTL3MBTL1HSD17B1
SCHEMBL6465387 0.79 HSD17B2 (0.47) HSD17B2ALDH1A1MAPTHPGDHSD17B1
SCHEMBL6310719 0.78 ATM (0.51) HSD17B2RAB9ANPC1HPGDL3MBTL1
SCHEMBL7368760 0.78 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4576119 0.77 UNG (0.47) HSD17B2HSD17B1CES2CES1GRM1
SCHEMBL15452713 0.76 GFER (0.55) HSD17B2HTTSMN1; SMN2RAB9ANPC1
SCHEMBL29482201 0.76 CES2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1CES2
SCHEMBL255000 0.76 CES2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1CES2

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 HTR3E 636/4885HTR3B 419/4885HTR3A 407/4885

“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.