SCHEMBL561603

SCHEMBL561603

CC(=CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FFAR1 O14842 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALOX5 P09917 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL561601 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL28888757 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL561604 0.81 CES2 (0.39) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL16070867 0.80 NR4A1 (0.58) KMT2ANPC1RAB9AMEN1NR4A1
SCHEMBL16070866 0.80 NR4A1 (0.58) KMT2ANPC1RAB9AMEN1NR4A1
SCHEMBL16070868 0.80 NR4A1 (0.58) KMT2ANPC1RAB9AMEN1NR4A1
SCHEMBL556261 0.79 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL11427406 0.75 MAOB (0.50) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL11438214 0.74 MAOB (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL28392269 0.73 NR4A1 (0.60) KMT2AMAPTNPC1RAB9AMEN1

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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 SMN1; SMN2 4774/4885ALDH1A1 3790/4885KMT2A 2506/4885

“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.