SCHEMBL3694639

SCHEMBL3694639

O=C(NCCc1cccs1)c1ccc(NC(=O)N2CCc3ccccc3C2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.65
▸ ADAM17 P78536 2/20 0.55
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL3698168 0.86 NAMPT (0.86) NAMPTADAM17RAB9ASMN1; SMN2MAPK1
SCHEMBL3703523 0.83 NAMPT (0.87) NAMPTRAB9ANPC1MEN1GAA
SCHEMBL3709094 0.82 NAMPT (0.65) NAMPTADAM17RAB9ANPC1SMN1; SMN2
SCHEMBL3696624 0.81 NAMPT (0.87) NAMPTRAB9ANPC1MEN1GAA
SCHEMBL3700315 0.81 NAMPT (0.65) NAMPTADAM17RAB9ANPC1MEN1
SCHEMBL3694631 0.80 NAMPT (0.72) NAMPT
SCHEMBL3708313 0.80 NAMPT (0.71) NAMPT
SCHEMBL3699822 0.79 NAMPT (1.00) NAMPT
SCHEMBL3702690 0.78 NAMPT (0.75) NAMPTADAM17RAB9ANPC1MEN1
SCHEMBL3700427 0.78 NAMPT (0.86) 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
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 — — EP claimed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 — — WO claimed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — US claimed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 — — EP disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 — — WO disclosed
US-20120122924-A1 NAMPT 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 (1 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885ADAM17 1787/4885RAB9A 2177/4885

“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.

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