SCHEMBL5314484

SCHEMBL5314484

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.69
KMT2A Q03164 10/20 0.68
MEN1 O00255 9/20 0.68
MAPT P10636 9/20 0.68
POLB P06746 3/20 0.68
MAPK1 P28482 3/20 0.68
LMNA P02545 3/20 0.68
XBP1 P17861 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MITF O75030 2/20 0.62
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
P4HTM Q9NXG6 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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 0.87 RAB9A (0.68) RORCKMT2AMEN1MAPTPOLB
SCHEMBL13428706 0.87 RAB9A (0.68) RORCKMT2AMEN1MAPTPOLB
SCHEMBL31078459 0.86 MEN1 (0.73) RORCKMT2AMEN1MAPTPOLB
SCHEMBL23898948 0.85 KMT2A (0.83) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL9134339 0.85 KMT2A (0.83) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL8572381 0.85 KMT2A (0.83) KMT2AMEN1MAPTPOLBMAPK1
SCHEMBL4880524 0.82 RORC (1.00) RORCKMT2AMEN1MAPTPOLB
SCHEMBL17114526 0.82 RORC (0.75) RORCKMT2AMEN1MAPTLMNA
SCHEMBL7128340 0.81 RORC (0.66) RORCKMT2AMEN1MAPTPOLB
SCHEMBL12334585 0.81 MEN1 (0.83) RORCKMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067619-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
US-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-07-25 US disclosed
WO-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 WO disclosed
WO-2007067619-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity RORC, RORB, RORA RORC 1/4885KMT2A 1905/4885MEN1 2991/4885

“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.