SCHEMBL3145157

SCHEMBL3145157

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
PKM P14618 1/20 0.77
HGFAC Q04756 1/20 0.67
MAPT P10636 4/20 0.60
ALDH1A1 P00352 2/20 0.60
NR1H4 Q96RI1 1/20 0.58
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ALOX5 P09917 2/20 0.55
CES1 P23141 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
XDH P47989 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
BCL9 O00512 1/20 0.51

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
SCHEMBL16375430 1.00 KMT2A (0.77) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL18434657 0.95 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL4951809 0.95 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL542043 0.95 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL10636579 0.95 KMT2A (0.84) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL16335594 0.94 PKM (0.68) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL9333093 0.92 KMT2A (0.66) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL6725717 0.91 KMT2A (0.65) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL16367723 0.90 KMT2A (0.68) KMT2APKMHGFACMAPTALDH1A1
SCHEMBL12489991 0.90 PKM (0.77) KMT2APKMHGFACMAPTALDH1A1

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-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
US-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 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-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME DDC, AOC1, DDT KMT2A 334/4885PKM 1559/4885HGFAC 3548/4885

“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.