SCHEMBL14909635

SCHEMBL14909635

Brc1cncc(COCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.56
SLC6A4 P31645 2/20 0.56
KCNH2 Q12809 2/20 0.56
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38

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
SCHEMBL29925954 0.84 TACR1 (0.46) TACR1SLC6A4KCNH2TSHRSMN1; SMN2
SCHEMBL27032166 0.84 TACR1 (0.46) TACR1SLC6A4KCNH2TSHRSMN1; SMN2
SCHEMBL16195979 0.83 TACR1 (0.46) TACR1SLC6A4KCNH2SMN1; SMN2ALOX15
SCHEMBL3593017 0.80 CYP11B1 (0.43) TACR1SLC6A4KCNH2MAOBIDO1
SCHEMBL18479101 0.79 POLB (0.50) TACR1SLC6A4KCNH2SMN1; SMN2ALOX15
SCHEMBL4731 0.79 CALM1 (0.48) TACR1SLC6A4KCNH2SMN1; SMN2ALOX15
SCHEMBL12659904 0.79 TSHR (0.54) TACR1TSHR
SCHEMBL3753652 0.78 TACR1 (0.46) TACR1SLC6A4KCNH2TSHRSMN1; SMN2
SCHEMBL24063806 0.78 SMN1; SMN2 (0.42) TACR1SLC6A4KCNH2TSHRSMN1; SMN2
SCHEMBL188660 0.77 MAOB (0.62) SMN1; SMN2MAOB

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 14 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
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 TACR1 1502/4885SLC6A4 2320/4885KCNH2 1263/4885

“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.