SCHEMBL16495708

SCHEMBL16495708

O=C(NCCN1CCNC1=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGDS O60760 3/20 0.53
GABRA5 P31644 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.47
WNT3A P56704 2/20 0.44
MLNR O43193 5/20 0.43
GPR52 Q9Y2T5 1/20 0.43
PRKAA2 P54646 1/20 0.42
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41

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
SCHEMBL16495857 0.89 HPGDS (0.53) HPGDSGABRA5WNT3A
SCHEMBL16495442 0.88 GABRA5 (0.60) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL16496422 0.87 HPGDS (0.51) HPGDSGABRA5WNT3APRKAA2
SCHEMBL16495558 0.85 HPGDS (0.53) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL2072422 0.84 HPGDS (0.54) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL16496173 0.84 HPGDS (0.52) RAB9AKMT2AHPGDSGABRA5ALDH1A1
SCHEMBL16496048 0.83 HPGDS (0.60) KMT2AHPGDSALDH1A1
SCHEMBL16495429 0.82 CD274 (0.60) HPGDSWNT3A
SCHEMBL16495625 0.82 HPGDS (0.59) KMT2AHPGDS
SCHEMBL16495519 0.80 HPGDS (0.65) HPGDSWNT3A

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 2122/4885KMT2A 3206/4885HPGDS 1073/4885

“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.