SCHEMBL4250109

SCHEMBL4250109

COc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
HPGD P15428 1/20 0.73
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
NLRP3 Q96P20 1/20 0.61
TRPV1 Q8NER1 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
TSHR P16473 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
MEN1 O00255 1/20 0.55
KCNK9 Q9NPC2 2/20 0.55
KCNK3 O14649 1/20 0.55
GRM4 Q14833 1/20 0.53

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
SCHEMBL13701945 0.88 SMN1; SMN2 (0.63) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10055020 0.82 NPC1 (0.94) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL8085243 0.81 ALDH1A1 (0.68) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4253031 0.81 RAB9A (0.62) KDM4EHPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL25433611 0.81 DHX9 (0.58) KDM4EHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL31610057 0.81 DHX9 (0.58) KDM4EHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL4252190 0.80 ALDH1A1 (0.82) KDM4EHPGDRAB9AKMT2AALDH1A1
SCHEMBL4256368 0.79 NPC1 (1.00) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8769758 0.77 ALDH1A1 (0.55) KDM4ERAB9AKMT2AALDH1A1TP53
SCHEMBL8770154 0.77 MEN1 (0.55) KDM4ENPC1RAB9AKMT2AALDH1A1

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 KDM4E 1438/4885HPGD 3214/4885NPC1 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.