SCHEMBL26134405

SCHEMBL26134405

CC1CN(Cc2ccc([N+](=O)[O-])cc2)C(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL26134618 0.84 TP53 (0.41) SIRT2SIRT1GPR119TP53
SCHEMBL22536521 0.84 CACNA1G (0.49) ALDH1A1MAPTLMNAHPGDNPC1
SCHEMBL29277630 0.84 CACNA1G (0.49) ALDH1A1MAPTLMNAHPGDNPC1
SCHEMBL26134495 0.83 ALDH1A1 (0.47) TDP1ALDH1A1MAPTLMNASIRT2
SCHEMBL377526 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGPR119NPC1
SCHEMBL377867 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGPR119NPC1
SCHEMBL6894620 0.81 ALDH1A1 (0.59) TDP1ALDH1A1MAPTLMNATP53
SCHEMBL26133849 0.80 ALDH1A1 (0.49) TDP1ALDH1A1MAPTLMNAHPGD
SCHEMBL26548342 0.78 TDP1 (0.47) TDP1ALDH1A1MAPTLMNASIRT2
SCHEMBL377559 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 TDP1 4486/4885ALDH1A1 2019/4885MAPT 718/4885

“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.