Sugi Predict

Sugi Predict / Compounds / SCHEMBL12416754

SCHEMBL12416754

SCHEMBL12416754

Cc1noc(/C=C/c2ccc(/C=N/c3ccccc3)cc2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ MAPT P10636 10/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL522318 0.86 KMT2A (0.74) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522317 0.86 KMT2A (0.74) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL521952 0.80 KMT2A (0.64) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL521951 0.80 KMT2A (0.64) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522145 0.79 KMT2A (0.63) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522621 0.79 KMT2A (0.63) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522144 0.79 KMT2A (0.63) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522622 0.79 KMT2A (0.63) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL10033925 0.77 KMT2A (0.72) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL522664 0.77 KMT2A (0.60) KMT2AMEN1MAPTCRHBPCRHR2

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 KMT2A 2278/4885MEN1 392/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885MEN1 392/4885MAPT 3638/4885

“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.