SCHEMBL10077040

SCHEMBL10077040

COCCNc1cccc2cc(Br)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NCF1 P14598 2/20 0.42
MEN1 O00255 2/20 0.38
APAF1 O14727 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CD O00329 1/20 0.38
POLB P06746 2/20 0.38
PDE4B Q07343 2/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDR P35968 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL14910044 0.86 NCF1 (0.37) SMN1; SMN2ALDH1A1KDM4ENCF1MEN1
SCHEMBL14908693 0.81 HSP90AA1 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3382495 0.76 KDR (0.41) KDM4EMEN1APAF1KMT2APOLB
SCHEMBL14909009 0.76 LMNA (0.49) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14909228 0.74 PRKCQ (0.41) MEN1APAF1KMT2APOLBBLM
SCHEMBL20266451 0.73 NCF1 (0.43) SMN1; SMN2ALDH1A1KDM4ENCF1MEN1
SCHEMBL6537395 0.71 TDP1 (0.57) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL13255497 0.70 HPGDS (0.60) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6537708 0.70 KMT2A (0.63) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL6537930 0.70 KDR (0.54) MEN1KMT2AL3MBTL1KDRLMNA

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 17 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
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN 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-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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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 SMN1; SMN2 2190/4885ALDH1A1 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.