SCHEMBL12416827

SCHEMBL12416827

Nc1ccccc1/N=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ CA12 O43570 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ PTBP1 P26599 1/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ PLAU P00749 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MGAM O43451 1/20 0.44

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
SCHEMBL2032350 0.85 TDP1 (0.49) APAF1ATMSAE1UBA2MAPT
SCHEMBL4627702 0.85 TDP1 (0.49) APAF1ATMSAE1UBA2MAPT
SCHEMBL3166963 0.81 APAF1 (0.59) APAF1ATMSAE1UBA2MAPT
SCHEMBL27930462 0.81 ALDH1A1 (0.66) APAF1ATMSAE1UBA2MAPT
SCHEMBL10090684 0.80 ALDH1A1 (0.62) APAF1ATMSAE1UBA2MAPT
SCHEMBL9849940 0.78 ALDH1A1 (0.55) APAF1ATMSAE1UBA2MAPT
SCHEMBL10478287 0.77 MAPT (0.65) APAF1ATMSAE1UBA2MAPT
SCHEMBL4727410 0.77 MAPT (0.65) APAF1ATMSAE1UBA2MAPT
SCHEMBL29035946 0.76 CA12 (0.60) MAPTKDM4ECA12ALDH1A1MEN1
SCHEMBL12753973 0.76 CA2 (0.46) APAF1ATMSAE1UBA2MAPT

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-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

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 APAF1 31/4885ATM 1566/4885SAE1 4309/4885

“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.

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