SCHEMBL16495488

SCHEMBL16495488

Cc1cccc(-c2ccc(C(=O)NCCc3ccncc3)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
PTAFR P25105 1/20 0.53
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HIF1A Q16665 2/20 0.49
MAPT P10636 1/20 0.48
HPGDS O60760 1/20 0.48
ROCK2 O75116 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.48
NAMPT P43490 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL16495497 0.87 HPGDS (0.55) RAB9ANPC1SMN1; SMN2PTAFRHDAC2
SCHEMBL16495388 0.86 TRPV1 (0.58) RAB9ANPC1SMN1; SMN2PTAFRMAPT
SCHEMBL16495906 0.86 HPGDS (0.64) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL16496007 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL16495626 0.81 NT5E (0.64) RAB9ASMN1; SMN2KDM4ELMNAPOLB
SCHEMBL16495740 0.80 TRPV1 (0.48) SMN1; SMN2PTAFRPOLBMAPTHPGDS
SCHEMBL16495479 0.80 HPGDS (0.77) KDM4ELMNAHPGDSROCK1VNN1
SCHEMBL16495895 0.80 NAMPT (0.56) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL16495662 0.80 HPGDS (0.65) LMNAHPGDSNAMPT
SCHEMBL16495457 0.79 MAPT (0.46) PTAFRLMNAPOLBMAPTHPGDS

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 RAB9A 2122/4885NPC1 236/4885SMN1; SMN2 1659/4885

“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.