SCHEMBL13930693

SCHEMBL13930693

COc1cccc(NC(=O)c2cnc(N3CCC(C)CC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.54
▸ JAK2 O60674 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL31107156 1.00 TAAR1 (0.54) TAAR1JAK2MAPTSMN1; SMN2CHRNB2
SCHEMBL3676610 0.91 TAAR1 (0.59) TAAR1JAK2MAPTSMN1; SMN2TSHR
SCHEMBL31107153 0.86 P2RY12 (0.60) TAAR1JAK2MAPTSMN1; SMN2CHRNB2
SCHEMBL13930706 0.86 P2RY12 (0.60) TAAR1JAK2MAPTSMN1; SMN2CHRNB2
SCHEMBL3641066 0.85 TAAR1 (0.70) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL3639029 0.78 RAB9A (0.61) JAK2MAPTSMN1; SMN2KDM4ETP53
SCHEMBL3645068 0.78 TAAR1 (0.65) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL4247984 0.76 TAAR1 (0.80) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL3645506 0.76 TAAR1 (0.77) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL3647806 0.76 P2RY12 (0.64) JAK2MAPTSMN1; SMN2KDM4ETP53

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 2 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

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 TAAR1 97/4885JAK2 1211/4885MAPT 759/4885

“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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