SCHEMBL5880959

SCHEMBL5880959

Nc1c(O)ccc([N+](=O)[O-])c1-c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MCL1 Q07820 2/20 0.48
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
ABCB1 P08183 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL5881005 0.76 TSHR (0.44) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13374002 0.75 MAPT (0.67) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL423560 0.75 CTSB (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL28747274 0.75 MEN1 (0.50) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL28748175 0.71 TP53 (0.45) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL5133283 0.70 ALDH1A1 (0.50) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL2269212 0.69 RAB9A (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL608096 0.69 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL2934537 0.68 GAPDH (0.49) MAPTMEN1KMT2APOLBCA12
SCHEMBL5684858 0.67 GAPDH (0.48) MAPTMEN1KMT2ACA12CA2

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-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 MAPT 1799/4885MEN1 3010/4885KMT2A 3421/4885

“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.