SCHEMBL3702113

SCHEMBL3702113

O=C(Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 1.00
LMNA P02545 2/20 0.71
HTT P42858 2/20 0.71
MAPT P10636 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
PANK3 Q9H999 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 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
SCHEMBL3704948 0.85 NAMPT (1.00) NAMPT
SCHEMBL3703746 0.85 NAMPT (1.00) NAMPTPANK3
SCHEMBL3705891 0.85 NAMPT (1.00) NAMPT
SCHEMBL3699932 0.83 NAMPT (1.00) NAMPTLMNAMAPTALDH1A1
SCHEMBL6122900 0.83 NAMPT (1.00) NAMPTLMNAMAPTALDH1A1
SCHEMBL3700408 0.83 NAMPT (1.00) NAMPT
SCHEMBL3708658 0.81 NAMPT (1.00) NAMPT
SCHEMBL22581843 0.80 MAPT (0.81) NAMPTLMNAHTTMAPTSMN1; SMN2
SCHEMBL30567241 0.80 MAPT (0.81) NAMPTLMNAHTTMAPTSMN1; SMN2
SCHEMBL3704909 0.80 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 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 1/4885LMNA 1648/4885HTT 1893/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885LMNA 758/4885HTT 2410/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885LMNA 758/4885HTT 2410/4885

“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.