SCHEMBL1708181

SCHEMBL1708181

O=C(O)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 1/20 0.52
SUCNR1 Q9BXA5 3/20 0.52
CFD P00746 1/20 0.51
F11 P03951 1/20 0.51
TPSB2 P20231 1/20 0.51
MAPT P10636 1/20 0.49
RORC P51449 1/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL7166087 0.81 CXCL8 (0.51) ALOX5NR1H4ALDH1A1MAPT
SCHEMBL8334964 0.80 ALOX5 (0.70) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL21711305 0.80 NR1H4 (0.75) NR1H4SUCNR1CFDF11TPSB2
SCHEMBL7875424 0.79 ALOX5 (0.68) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL6864203 0.78 ALOX5 (0.67) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL28328243 0.78 MEN1 (0.70) ALOX5MEN1KMT2AALDH1A1RORC
SCHEMBL16396581 0.78 NR1H4 (0.60) NR1H4ALDH1A1SUCNR1CFDF11
SCHEMBL10904297 0.77 ALOX5 (1.00) ALOX5MEN1KMT2AMAPTRORC
SCHEMBL5486512 0.76 ALOX5 (0.64) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL7423527 0.74 SLC16A3 (0.64) NR1H4SUCNR1CFDF11TPSB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US disclosed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP 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 (2 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS ALOX5 4159/4885MEN1 4428/4885KMT2A 2681/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS ALOX5 4159/4885MEN1 4428/4885KMT2A 2681/4885

“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.