SCHEMBL14928667

SCHEMBL14928667

C[C@H](CN1C(=O)c2ccccc2C1=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
UBE2N P61088 1/20 0.42
ATM Q13315 1/20 0.42
KCNA5 P22460 2/20 0.41
KCNH2 Q12809 1/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 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
SCHEMBL6556286 0.82 KMT2A (0.50) ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL10722361 0.82 KMT2A (0.50) ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL14928651 0.82 KMT2A (0.50) ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL14923472 0.82 HTT (0.46) HTTALDH1A1KDM4EPKMGAA
SCHEMBL4862865 0.77 GAA (0.48) HTTALDH1A1KDM4EPKMTP53
SCHEMBL12431379 0.74 DAO (0.46) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14909468 0.74 KMT2A (0.42) HTTALDH1A1TP53GAAALOX15
SCHEMBL14909470 0.74 KMT2A (0.42) HTTALDH1A1TP53GAAALOX15
SCHEMBL2564111 0.74 CASP3 (0.53) ALDH1A1PKMSMN1; SMN2KCNA5KMT2A
SCHEMBL2564113 0.74 CASP3 (0.53) ALDH1A1PKMSMN1; SMN2KCNA5KMT2A

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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK HTT 2347/4885ALDH1A1 1638/4885KDM4E 2420/4885

“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.