SCHEMBL3353780

SCHEMBL3353780

Nc1cc(-c2ccccc2)nc(N2CCOCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.69
HSD17B10 Q99714 3/20 0.69
TSHR P16473 2/20 0.69
MAPT P10636 2/20 0.69
MAPK1 P28482 2/20 0.69
HTT P42858 3/20 0.61
PIK3CA P42336 10/20 0.56
AKT1 P31749 8/20 0.56
MTOR P42345 6/20 0.56
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54
AR P10275 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL23259180 0.85 PIK3CA (0.57) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL23259179 0.84 PIK3CA (0.54) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL23259071 0.84 MAPT (0.71) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL3719793 0.83 MAPT (0.84) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL3452088 0.82 MAPT (1.00) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL3287154 0.81 MAPT (0.61) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL14529165 0.80 HRH4 (0.54) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL3451481 0.79 NPSR1 (0.74) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL6378776 0.78 NPSR1 (0.63) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL908448 0.78 PIK3CA (0.48) NPSR1HSD17B10TSHRMAPTMAPK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
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 (3 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 NPSR1 935/4885HSD17B10 2178/4885TSHR 1886/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 NPSR1 4864/4885HSD17B10 311/4885TSHR 4703/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 NPSR1 4864/4885HSD17B10 311/4885TSHR 4703/4885

“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.