SCHEMBL20109355

SCHEMBL20109355

C=C=C(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
AR P10275 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20109359 0.83 KMT2A (0.47) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL161867 0.83 LMNA (0.56) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL8357967 0.82 LMNA (0.53) LMNAKMT2AALDH1A1MAPTCYP1A2
SCHEMBL20109336 0.81 MEN1 (0.49) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL20109333 0.81 ALDH1A1 (0.49) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL20109358 0.80 KMT2A (0.48) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL20109356 0.80 MAPT (0.47) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL12694041 0.80 LMNA (0.51) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL398701 0.78 LMNA (0.73) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL3883309 0.77 LMNA (0.54) LMNAALDH1A1MAPTCYP1A2CYP2C19

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-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 LMNA 3601/4885KMT2A 2508/4885ALDH1A1 4621/4885

“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.