SCHEMBL24196331

SCHEMBL24196331

O=c1[nH]cc([N+](=O)[O-])c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 5/20 0.43
HIPK2 Q9H2X6 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
CHUK O15111 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL30861100 0.80 CHUK (0.50) ALDH1A1MAPTHTTCHUKLMNA
SCHEMBL1004938 0.80 CHUK (0.50) ALDH1A1MAPTHTTCHUKLMNA
SCHEMBL23166366 0.80 HTR6 (0.45) ALDH1A1MAPTHTTHIPK2CHUK
SCHEMBL15717048 0.78 ALDH1A1 (0.64) ALDH1A1POLBPARP1KDM4EMEN1
SCHEMBL11817125 0.77 MAPT (0.64) ALDH1A1MAPTHTTHIPK2CHUK
SCHEMBL22120275 0.75 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNAPARP1
SCHEMBL23166408 0.73 HTR6 (0.42) ALDH1A1MAPTHTTHIPK2CHUK
SCHEMBL245955 0.73 KDM4C (0.47) ALDH1A1MAPTHTTKDM4AKDM4B
SCHEMBL21917249 0.73 KDM4A (0.47) ALDH1A1MAPTHTTKDM4AKDM4B
SCHEMBL15634812 0.73 GSK3B (0.48) ALDH1A1MAPTHTTKDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 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 (2 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 ALDH1A1 1724/4885MAPT 105/4885HTT 155/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP ALDH1A1 3928/4885MAPT 62/4885HTT 53/4885

“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.