Sugi Predict

Sugi Predict / Compounds / SCHEMBL12416995

SCHEMBL12416995

SCHEMBL12416995

Cc1c(Cl)cccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.51
▸ KMT2A Q03164 12/20 0.51
▸ ALDH1A1 P00352 11/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ HSP90AA1 P07900 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 13/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HTT P42858 6/20 0.51
▸ TDP1 Q9NUW8 6/20 0.51
▸ POLB P06746 5/20 0.51
▸ RECQL P46063 4/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ BLM P54132 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ BCL2L1 Q07817 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ HKDC1 Q2TB90 1/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.50

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
SCHEMBL12417020 0.89 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12417051 0.89 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12416799 0.89 MAPT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12417010 0.87 MAPT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12417045 0.86 ERN1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12416870 0.84 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12417015 0.81 MAPT (0.57) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12416895 0.81 MAPT (0.72) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12416998 0.81 MAPT (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12416977 0.81 MAPT (0.54) MEN1KMT2AALDH1A1SMN1; 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 MEN1 392/4885KMT2A 2278/4885ALDH1A1 3768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MEN1 392/4885KMT2A 2278/4885ALDH1A1 3768/4885

“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.