SCHEMBL14911567

SCHEMBL14911567

N#Cc1cc(F)c(NCCNC(=O)O)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.44
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 3/20 0.42
POLB P06746 2/20 0.41
CFTR P13569 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 2/20 0.38
KPNA2 P52292 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3388507 0.83 STK17B (0.45) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL14923677 0.81 KHK (0.55) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL1400633 0.80 KHK (0.48) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL14927613 0.80 KHK (0.50) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL14909350 0.78 KHK (0.54) KHKALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL16164572 0.77 KHK (0.38) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL16164472 0.76 HIF1A (0.36) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL2713296 0.76 ACHE (0.41) KHKALDH1A1KDM4EHPGDLMNA
SCHEMBL18926214 0.74 KHK (0.61) KHKALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16164471 0.73 ACHE (0.39) KHKALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
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-8772320-B2 2014-07-08 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 KHK 2008/4885ALDH1A1 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.