SCHEMBL31213128

SCHEMBL31213128

Cc1nccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MAPT P10636 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HCAR1 Q9BXC0 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MET P08581 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL9016883 0.81 HCAR1 (0.47) ALDH1A1KDM4EMAPTHCAR1KMT2A
SCHEMBL7278926 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTATMKMT2A
SCHEMBL31040870 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2ALMNANOS1
SCHEMBL11411912 0.79 HCAR1 (0.45) ALDH1A1KDM4EMAPTHCAR1KMT2A
SCHEMBL8081306 0.77 MAPT (0.50) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL31137279 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL31500097 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL7981240 0.76 KMT2A (0.48) ALDH1A1KDM4EMAPTHCAR1KMT2A
SCHEMBL8027450 0.75 HCAR1 (0.50) ALDH1A1KDM4EMAPTHCAR1KMT2A
SCHEMBL14428964 0.74 CYP3A4 (0.50) ALDH1A1KDM4EMAPTHCAR1TDP1

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-20240327411-A1 SIRT6 ACTIVATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-03 — — 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-20240327411-A1 SIRT6 ACTIVATORS SIRT6, SIRT1, SIRT2 ALDH1A1 1699/4885KDM4E 1274/4885MAPT 322/4885

“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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