SCHEMBL13428706

SCHEMBL13428706

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 3/20 0.68
MITF O75030 2/20 0.68
POLB P06746 2/20 0.68
MAPT P10636 4/20 0.66
MAPK1 P28482 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.65
TRPV1 Q8NER1 3/20 0.63
PTGS1 P23219 2/20 0.63
RORC P51449 1/20 0.61
HTT P42858 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ATM Q13315 1/20 0.59
TRPV4 Q9HBA0 1/20 0.57

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
SCHEMBL11972898 1.00 RAB9A (0.68) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL23898948 0.89 KMT2A (0.83) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL9134339 0.89 KMT2A (0.83) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL8572381 0.89 KMT2A (0.83) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL31151527 0.88 MEN1 (0.68) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL28217527 0.88 P2RX1 (0.68) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL28330879 0.88 MEN1 (0.68) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL6301913 0.88 MEN1 (0.74) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL5314484 0.87 RORC (0.69) RAB9AMEN1KMT2ANPC1MITF
SCHEMBL11973033 0.85 ABCG2 (0.53) RAB9AMEN1KMT2ANPC1MITF

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-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 US disclosed
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 US disclosed
EP-2070908-A1 COMPOUND HAVING BENZAMIDE SKELETON AND CYCLOOXYGENASE (COX-1)-SELECTIVE INHIBITORY ACTIVITY National University Corporation Okayama University (JP) 2009-06-17 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 (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-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY PTGS1, PTGS2, PTGIS RAB9A 3360/4885MEN1 2531/4885KMT2A 1889/4885

“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.