SCHEMBL26042865

SCHEMBL26042865

CC(C)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 5/20 0.43
GAA P10253 1/20 0.43
PDK1 Q15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.38
RPS6KA3 P51812 1/20 0.37
CHUK O15111 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16272268 0.86 ALDH1A1 (0.43) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL1911140 0.81 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL11815643 0.81 ALDH1A1 (0.49) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL23885286 0.77 ALDH1A1 (0.42) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL3330505 0.77 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL3330500 0.77 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL15057387 0.76 ALDH1A1 (0.41) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL15103671 0.76 MAPT (0.41) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL16485936 0.76 ALDH1A1 (0.64) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL8568179 0.76 ALDH1A1 (0.53) ALDH1A1HTTGAARAB9AMAPT

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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 ALDH1A1 722/4885HTT 1125/4885GAA 4006/4885

“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.