SCHEMBL4250164

SCHEMBL4250164

COc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.64
▸ RAB9A P51151 7/20 0.62
▸ NPC1 O15118 6/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TP53 P04637 2/20 0.62
▸ PKM P14618 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ KCNK3 O14649 1/20 0.60
▸ KCNK9 Q9NPC2 1/20 0.60
▸ HTT P42858 1/20 0.59
▸ NLRP3 Q96P20 1/20 0.59

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 0.85 RXFP1 (0.74) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4251067 0.83 NPC1 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4258409 0.83 RXFP1 (0.70) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4251968 0.82 RXFP1 (0.94) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30862297 0.82 RXFP1 (0.94) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3643154 0.81 RXFP1 (0.68) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3646230 0.81 RXFP1 (0.68) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3643286 0.81 RAB9A (0.72) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10055020 0.80 NPC1 (0.94) RXFP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4395747 0.80 RXFP1 (0.74) RXFP1RAB9ANPC1ALDH1A1SMN1; 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 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.

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