SCHEMBL6525417

SCHEMBL6525417

O=[N+]([O-])c1ccc(Cl)cc1CBr.O=[N+]([O-])c1ccc(Cl)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 1/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL68181 0.92 TSHR (0.58) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL68713 0.92 TSHR (0.58) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL27688497 0.79 TSHR (0.55) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL20362277 0.79 TSHR (0.46) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL67536 0.78 MAPK1 (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL1509585 0.78 MAPK1 (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL29495064 0.78 MAPK1 (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL2949639 0.76 TSHR (0.60) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL67864 0.76 MAPK1 (0.60) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL27273104 0.76 MAPK1 (0.60) KMT2AMEN1TSHRMAPK1ALDH1A1

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-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-03-03 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-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof PGC, LIPC, CEL KMT2A 2459/4885MEN1 4710/4885TSHR 1118/4885

“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.