SCHEMBL1858862

SCHEMBL1858862

Cc1cnc(Nc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 2/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM1A O60341 1/20 0.46
ABCG2 Q9UNQ0 1/20 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
SCHEMBL1863082 0.85 KMT2A (0.56) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1865941 0.83 KMT2A (0.54) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL12018989 0.82 KMT2A (0.53) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1869741 0.82 KMT2A (0.53) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL10817029 0.81 GSK3B (0.56) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1866824 0.79 KMT2A (0.66) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL6791960 0.74 KMT2A (0.63) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL12100780 0.74 RAB9A (0.56) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1863070 0.73 KMT2A (1.00) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL29023891 0.72 ALDH1A1 (0.56) KMT2AMEN1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493857-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES Ariel-University Research and Development Company Ltd. (IL) 2012-09-05 EP claimed
US-20120220537-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2012-08-30 US claimed
WO-2011051950-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD (IL) 2011-05-05 WO claimed
EP-2493857-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES Ariel-University Research and Development Company Ltd. (IL) 2012-09-05 EP disclosed
US-20120220537-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2012-08-30 US disclosed
US-20120220537-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2012-08-30 US disclosed
US-20120220537-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2012-08-30 US disclosed
WO-2011051950-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD (IL) 2011-05-05 WO disclosed
WO-2011051950-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD (IL) 2011-05-05 WO 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-20120220537-A1 9-AMINOACRIDINE DERIVATIVES, THEIR PREPARATION AND USES MPG, PRMT9, AADAT KMT2A 848/4885MEN1 1862/4885MAPT 4188/4885

“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.