SCHEMBL16495683

SCHEMBL16495683

COc1cccc(-c2ccc(C(=O)Nc3ccncc3)cn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.61
PRKG1 Q13976 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.59
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PLAU P00749 2/20 0.54
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRKDC P78527 1/20 0.53
ATR Q13535 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
SCHEMBL16495372 0.91 TRPV1 (0.64) ROCK2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL16495668 0.89 ALDH1A1 (0.69) ROCK2PRKG1KMT2AMEN1LMNA
SCHEMBL5934783 0.88 CNR1 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1PLAU
SCHEMBL16496431 0.88 TP53 (0.65) ROCK2PRKG1KMT2AMEN1SMN1; SMN2
SCHEMBL6174432 0.86 MAPT (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5934208 0.86 TP53 (0.68) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL16495626 0.85 NT5E (0.64) ROCK2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5934217 0.84 BRAF (0.55) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL5934458 0.84 ABCG2 (0.53) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5934344 0.84 TRPV1 (0.71) KMT2AMEN1SMN1; SMN2POLBTSHR

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 ROCK2 4683/4885PRKG1 3173/4885KMT2A 3206/4885

“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.