SCHEMBL3709155

SCHEMBL3709155

O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 1.00
HPGD P15428 2/20 0.62
ALDH1A1 P00352 1/20 0.62
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
TP53 P04637 2/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.60
AVPR1A P37288 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3704448 0.84 NAMPT (1.00) NAMPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3709164 0.82 NAMPT (1.00) NAMPT
SCHEMBL31680509 0.82 HPGD (0.90) NAMPTHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3703827 0.80 NAMPT (1.00) NAMPT
SCHEMBL6350744 0.79 NPC1 (0.81) NAMPTHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3705616 0.79 NAMPT (1.00) NAMPTRAB9ASMN1; SMN2MAPK1
SCHEMBL5783412 0.78 HPGD (1.00) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31556814 0.78 HPGD (1.00) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3710393 0.77 NAMPT (0.78) NAMPT
SCHEMBL3709249 0.77 NAMPT (0.78) 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 1/4885HPGD 82/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885HPGD 132/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885HPGD 132/4885ALDH1A1 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.