SCHEMBL3700834

SCHEMBL3700834

O=C(O)CCNC(=O)n1cc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACE P12821 2/20 0.41
MME P08473 1/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.39
MMEL1 Q495T6 1/20 0.38
LMNA P02545 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
SCHEMBL3705586 0.87 EPHX1 (0.52) ALDH1A1TSHRATMLMNA
SCHEMBL3703445 0.79 NAMPT (0.50) ALDH1A1LMNA
SCHEMBL3704770 0.76 GRIN1 (0.52)
SCHEMBL7634312 0.72 KMO (0.50) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL3700835 0.71 NAMPT (0.71)
SCHEMBL3706368 0.70 NAMPT (0.51)
SCHEMBL3702878 0.69 TDP1 (0.52)
SCHEMBL7365093 0.69 FABP4 (0.51) ALDH1A1MAPTATM
SCHEMBL19925985 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11721111 0.69 P2RX4 (0.71) ALDH1A1MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK ALDH1A1 2558/4885HPGD 82/4885HSD17B10 2688/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ALDH1A1 2689/4885HPGD 132/4885HSD17B10 1849/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ALDH1A1 2689/4885HPGD 132/4885HSD17B10 1849/4885

“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.