SCHEMBL4200747

SCHEMBL4200747

O=C(O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.77
MAPT P10636 7/20 0.77
MEN1 O00255 6/20 0.77
PLA2G1B P04054 1/20 0.77
ATG4B Q9Y4P1 1/20 0.77
GAA P10253 1/20 0.62
CDK2 P24941 7/20 0.56
NPC1 O15118 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
THPO P40225 2/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
TRPA1 O75762 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC6 Q9UBN7 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
SCHEMBL4204948 0.91 KMT2A (0.77) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4211504 0.87 KMT2A (1.00) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4216370 0.84 MAPT (0.79) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4206875 0.82 KMT2A (0.83) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL13802443 0.81 MAPT (0.74) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4209133 0.81 MAPT (0.78) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4217682 0.81 MAPT (0.77) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4211567 0.80 MAPT (0.71) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL6480116 0.79 CTSV (0.58) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4212246 0.77 MAPT (1.00) KMT2AMAPTMEN1PLA2G1BATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 KMT2A 2408/4885MAPT 6/4885MEN1 694/4885

“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.