SCHEMBL10160140

SCHEMBL10160140

O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.86
SMN1; SMN2 Q16637 3/20 0.86
MAPT P10636 2/20 0.69
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.61
EPHX2 P34913 1/20 0.61
GAA P10253 1/20 0.61
THRB P10828 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
DDX3X O00571 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
LMNA P02545 1/20 0.58
TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL6754266 0.93 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1028387 0.91 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1028389 0.91 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13623020 0.87 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1026974 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5183414 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27841700 0.84 MEN1 (0.74) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28991799 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8528004 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1026824 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ALDH1A1 3661/4885SMN1; SMN2 2901/4885MAPT 395/4885

“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.