SCHEMBL3704448

SCHEMBL3704448

O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 1.00
RAB9A P51151 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
MAPK1 P28482 1/20 0.74
NPC1 O15118 4/20 0.72
TP53 P04637 1/20 0.72
ALDH1A1 P00352 1/20 0.69
TAS1R3 Q7RTX0 1/20 0.69
TAS1R1 Q7RTX1 1/20 0.69
TAS1R2 Q8TE23 1/20 0.69
MEN1 O00255 1/20 0.69
GAA P10253 1/20 0.69
KMT2A Q03164 1/20 0.69

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
SCHEMBL3709164 0.90 NAMPT (1.00) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3703827 0.87 NAMPT (1.00) NAMPT
SCHEMBL3707375 0.86 RAB9A (0.81) NAMPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL3709155 0.84 NAMPT (1.00) NAMPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL10226339 0.84 RAB9A (1.00) NAMPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL30515325 0.84 RAB9A (1.00) NAMPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL3710393 0.84 NAMPT (0.78) NAMPT
SCHEMBL3709249 0.84 NAMPT (0.78) NAMPT
SCHEMBL3711040 0.83 NAMPT (1.00) NAMPT
SCHEMBL3695600 0.83 NAMPT (0.82) NAMPTRAB9ASMN1; SMN2MAPK1NPC1

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 1/4885RAB9A 1486/4885SMN1; SMN2 1778/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885RAB9A 931/4885SMN1; SMN2 917/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885RAB9A 931/4885SMN1; SMN2 917/4885

“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.