SCHEMBL3386079

SCHEMBL3386079

Cn1c(F)cc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
AHR P35869 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HCRTR1 O43613 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PHGDH O43175 5/20 0.38
KCNH2 Q12809 2/20 0.37
PSMB8 P28062 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
SCHEMBL435737 0.78 RXFP1 (0.47) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL8899119 0.76 RXFP1 (0.46) RXFP1HTR2AHTR2CMEN1KMT2A
SCHEMBL8899522 0.76 RXFP1 (0.43) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL4793026 0.73 RXFP1 (0.48) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL7799883 0.73 KMT2A (0.50) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL2435291 0.72 KMT2A (0.53) MEN1KMT2AAHRKDM4EMAPT
SCHEMBL22003808 0.72 ACLY (0.49) RXFP1MEN1KMT2AKDM4EHCRTR1
SCHEMBL31202639 0.72 BRPF1 (0.65) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL3899804 0.72 RXFP1 (0.47) RXFP1MEN1KMT2AAHRKDM4E
SCHEMBL29951367 0.72 RXFP1 (0.47) RXFP1MEN1KMT2AAHRKDM4E

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 16 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-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 RXFP1 873/4885HTR2A 3058/4885HTR2C 3067/4885

“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.