SCHEMBL12417020

SCHEMBL12417020

Cc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.53
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 3/20 0.53
HSP90AA1 P07900 2/20 0.53
MAPT P10636 12/20 0.53
KDM4E B2RXH2 5/20 0.53
POLB P06746 4/20 0.53
RECQL P46063 3/20 0.53
BLM P54132 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ERN1 O75460 1/20 0.51
HTT P42858 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
APAF1 O14727 1/20 0.47
ATM Q13315 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 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
SCHEMBL12416870 0.91 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12416995 0.89 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12417045 0.88 ERN1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12417015 0.83 MAPT (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12416865 0.82 MAPT (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12416895 0.82 MAPT (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12416911 0.82 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12417013 0.81 APAF1 (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12417017 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12416994 0.81 MAPT (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885MEN1 392/4885KMT2A 2278/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885MEN1 392/4885KMT2A 2278/4885

“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.