SCHEMBL3703777

SCHEMBL3703777

O=C(Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cn1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 1.00
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
SLC6A7 Q99884 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3700408 0.86 NAMPT (1.00) NAMPT
SCHEMBL3712876 0.83 NAMPT (1.00) NAMPT
SCHEMBL3695862 0.80 NAMPT (0.88) NAMPTKDM4EALDH1A1
SCHEMBL3707359 0.80 NAMPT (1.00) NAMPTKDM4EALDH1A1
SCHEMBL30567100 0.79 ALDH1A1 (0.65) NAMPTKDM4EALDH1A1MAPK1
SCHEMBL22581884 0.79 ALDH1A1 (0.65) NAMPTKDM4EALDH1A1MAPK1
SCHEMBL26758539 0.78 KDM4E (0.72) NAMPTKDM4EALDH1A1MAPK1
SCHEMBL3698267 0.77 NAMPT (1.00) NAMPT
SCHEMBL3699865 0.77 NAMPT (1.00) NAMPTKDM4EALDH1A1
SCHEMBL3704909 0.77 NAMPT (1.00) NAMPT

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-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US 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
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 1/4885KDM4E 2048/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885KDM4E 3173/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885KDM4E 3173/4885ALDH1A1 2689/4885

“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.