SCHEMBL13080908

SCHEMBL13080908

O=C1Nc2ccc(Br)cc2/C1=C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SOS1 Q07889 1/20 0.56
▸ APP P05067 3/20 0.50
▸ SNCA P37840 3/20 0.50
▸ GABRA1 P14867 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ CCNB1 P14635 1/20 0.46

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
SCHEMBL13081089 0.88 MAPT (0.60) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL13081135 0.81 APP (0.70) MAPTKMT2AAPPSNCACCNB2
SCHEMBL14713042 0.78 XDH (0.69) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL3798471 0.74 APP (0.74) MAPTKMT2AAPPSNCAMEN1
SCHEMBL3798469 0.74 APP (0.74) MAPTKMT2AAPPSNCAMEN1
SCHEMBL13081090 0.74 APP (0.74) MAPTKMT2AAPPSNCAMEN1
SCHEMBL23978857 0.73 SOS1 (1.00) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL31741909 0.73 SOS1 (1.00) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL17762647 0.73 SOS1 (1.00) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL3745130 0.71 RPS6KA3 (0.71) MAPTAPPSNCAXDHRPS6KA3

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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 — — 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 MAPT 59/4885KMT2A 3886/4885ALDH1A1 2136/4885

“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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