SCHEMBL3698631

SCHEMBL3698631

O=C(Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1)NCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.64
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ ATM Q13315 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GAA P10253 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.56
▸ TAS1R1 Q7RTX1 1/20 0.56
▸ TAS1R2 Q8TE23 1/20 0.56
▸ HPGD P15428 1/20 0.55

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
SCHEMBL3701861 0.94 NPC1 (0.64) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL3702911 0.87 NAMPT (0.86) NAMPT
SCHEMBL3707242 0.86 RAB9A (0.73) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL3693902 0.84 NAMPT (0.84) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL3698327 0.84 POLB (0.67) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL17117223 0.83 NAMPT (0.82) NAMPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3700315 0.82 NAMPT (0.65) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL3705329 0.82 RAB9A (0.75) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL3703523 0.81 NAMPT (0.87) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL17117322 0.80 NAMPT (0.82) NAMPTNPC1SMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NPC1 88/4885RAB9A 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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