SCHEMBL3699718

SCHEMBL3699718

O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 1.00
ALDH1A1 P00352 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
MMP13 P45452 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL3704994 0.90 NAMPT (1.00) NAMPT
SCHEMBL3698742 0.85 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL3696356 0.82 NAMPT (0.79) NAMPT
SCHEMBL702096 0.81 NAMPT (0.84) NAMPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL3702467 0.81 NAMPT (0.80) NAMPT
SCHEMBL3700285 0.81 NAMPT (0.82) NAMPT
SCHEMBL3705330 0.80 NAMPT (1.00) NAMPT
SCHEMBL3705066 0.80 NAMPT (1.00) NAMPT
SCHEMBL6120977 0.80 NAMPT (1.00) NAMPT
SCHEMBL4925396 0.80 MEN1 (0.84) ALDH1A1MEN1LMNAMAPK1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP claimed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
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 NAMPT 1/4885ALDH1A1 2558/4885NPSR1 3163/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885ALDH1A1 2689/4885NPSR1 2548/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885ALDH1A1 2689/4885NPSR1 2548/4885

“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.