SCHEMBL14909268

SCHEMBL14909268

Brc1cc(OCc2ccccc2)c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
MAOB P27338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CCR5 P51681 1/20 0.44
MAPT P10636 2/20 0.44
KDM1A O60341 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20521768 0.85 NPC1 (0.54) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL29363229 0.84 MEN1 (0.64) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL5865023 0.82 LTA4H (0.56) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL29360828 0.80 NPC1 (0.77) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL1101199 0.80 NPC1 (0.77) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL18229795 0.79 MEN1 (0.50) NPC1RAB9AMEN1KMT2ALTA4H
Hydrochloric Acid SCHEMBL4754679 0.78 NPC1 (0.74) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL22816626 0.78 KDM4E (0.43) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL16431807 0.78 NPC1 (0.52) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL6588810 0.77 PTGER1 (0.50) MEN1KMT2AHDAC6PIM1PIM2

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 15 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-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

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 NPC1 1367/4885RAB9A 2445/4885MEN1 2870/4885

“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.