SCHEMBL7115339

SCHEMBL7115339

O=C(O)c1ccc([N+](=O)[O-])cc1Cl.O=C(O)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
NPC1 O15118 2/20 0.48
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSP90AA1 P07900 1/20 0.47
FLT1 P17948 1/20 0.46

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
SCHEMBL11510696 0.89 TSHR (0.60) KMT2AALDH1A1CYP3A4ALOX15TDP1
SCHEMBL231457 0.88 KMT2A (0.72) KMT2AALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11054244 0.86 KMT2A (0.70) KMT2AALDH1A1CYP3A4ALOX15TDP1
Potassium Ion SCHEMBL11056843 0.86 KMT2A (0.70) KMT2AALDH1A1CYP3A4ALOX15TDP1
SCHEMBL8447120 0.86 KMT2A (0.70) KMT2AALDH1A1CYP3A4ALOX15TDP1
Hydrochloric Acid SCHEMBL6222540 0.86 KMT2A (0.70) KMT2AALDH1A1CYP3A4ALOX15TDP1
SCHEMBL206197 0.86 TSHR (0.57) KMT2AALDH1A1CYP3A4ALOX15RAB9A
SCHEMBL7115345 0.85 KMT2A (0.54) KMT2AALDH1A1TDP1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10824597 0.85 TSHR (0.55) KMT2AALDH1A1CYP3A4ALOX15RAB9A
SCHEMBL27635677 0.84 TP53 (0.69) KMT2AALDH1A1RAB9ASMN1; SMN2MAPT

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-20030130343-A1 Fat accumulation-modulating compounds ADIPOGENIX, INC. (US) 2003-07-10 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-20030130343-A1 Fat accumulation-modulating compounds FABP4, LIPC, PLIN1 KMT2A 1569/4885ALDH1A1 1223/4885CYP3A4 2534/4885

“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.