SCHEMBL14910053

SCHEMBL14910053

CCOc1nccc(N)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RPS6KA5 O75582 1/20 0.36
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL3380754 0.82 AURKA (0.44) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL12903576 0.78 HPGD (0.47) HPGDSMN1; SMN2LRRK2MEN1KMT2A
SCHEMBL24196203 0.76 LRRK2 (0.41) LRRK2POLBHRH4CCNT1CCNA2
SCHEMBL31523674 0.73 MPL (0.39) L3MBTL1KDM4EHSD17B10NOS3NOS2
SCHEMBL28970688 0.73 HPGD (0.39) HPGDSMN1; SMN2LRRK2L3MBTL1POLB
SCHEMBL1647418 0.72 ALDH1A1 (0.50) HPGDSMN1; SMN2LRRK2ALDH1A1TSHR
SCHEMBL29977462 0.72 ALDH1A1 (0.50) HPGDSMN1; SMN2LRRK2ALDH1A1TSHR
SCHEMBL7736641 0.69 MAPT (0.53) HPGDSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL31522898 0.69 BRD4 (0.32) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL11718312 0.69 HPGD (0.39) HPGDSMN1; SMN2LRRK2ALDH1A1TSHR

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 13 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US 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-8809371-B2 2014-08-19 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
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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 HPGD 1481/4885SMN1; SMN2 2190/4885LRRK2 723/4885

“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.