SCHEMBL16455142

SCHEMBL16455142

COC(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.48
PTGS2 P35354 2/20 0.47
APP P05067 1/20 0.47
PTGS1 P23219 1/20 0.47
HSPB1 P04792 1/20 0.47
ACHE P22303 2/20 0.47

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
SCHEMBL9320810 0.92 MEN1 (0.54) LMNAMEN1KMT2AHTTNPC1
SCHEMBL17789996 0.85 MEN1 (0.52) LMNAMEN1KMT2AHTTNPC1
SCHEMBL4778707 0.84 KMT2A (0.67) LMNAMEN1KMT2AHTTNPC1
SCHEMBL16452390 0.82 MEN1 (0.50) LMNAMEN1KMT2AHTTNPC1
SCHEMBL28188392 0.81 KMT2A (0.52) LMNAMEN1KMT2AHTTNPC1
SCHEMBL9386790 0.81 MEN1 (0.55) LMNAMEN1KMT2AHTTNPC1
SCHEMBL21633908 0.81 MEN1 (0.51) LMNAMEN1KMT2AHTTNPC1
SCHEMBL7401252 0.81 MEN1 (0.51) LMNAMEN1KMT2AHTTNPC1
SCHEMBL9384682 0.81 MEN1 (0.51) LMNAMEN1KMT2AHTTNPC1
SCHEMBL11582009 0.79 HSPB1 (0.53) LMNAMEN1KMT2AHTTNPC1

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-9144615-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2015-09-29 US disclosed
US-20150044160-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2015-02-12 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-20150044160-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, CLTB, BRAP LMNA 905/4885MEN1 4707/4885KMT2A 2203/4885

“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.