SCHEMBL4979082

SCHEMBL4979082

Cc1cc(C(=O)NCCc2ccccn2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 3/20 0.53
NAMPT P43490 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL13575473 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL6500425 0.82 RAB9A (0.65) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL13947349 0.82 RAB9A (0.65) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL483578 0.79 RAB9A (0.74) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL13177792 0.77 HDAC2 (0.63) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL5210637 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL17886760 0.77 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL507445 0.77 RAB9A (0.62) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL1394203 0.77 RAB9A (0.74) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL11666172 0.77 CNR1 (0.67) NPC1RAB9ASMN1; SMN2GAAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 NPC1 118/4885RAB9A 1154/4885SMN1; SMN2 970/4885

“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.