SCHEMBL12208049

SCHEMBL12208049

CCc1ccc(-c2ccc([N+](=O)[O-])s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.50
▸ APP P05067 2/20 0.49
▸ PGR P06401 2/20 0.47
▸ AR P10275 1/20 0.44
▸ PPARG P37231 1/20 0.42
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALPG P10696 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ KDM4E B2RXH2 1/20 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
SCHEMBL12208206 0.83 CYP2A6 (0.50) CYP2A6APPPGRARKMT2A
SCHEMBL12597658 0.83 APP (0.47) CYP2A6APPPGRARKMT2A
SCHEMBL12231917 0.81 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL17635563 0.81 CYP2A6 (0.48) CYP2A6APPPGRARKMT2A
SCHEMBL8645298 0.77 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL10489736 0.77 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL7651941 0.77 MAPT (0.53) CYP2A6APPPGRKMT2AMEN1
SCHEMBL6067937 0.77 CYP2A6 (0.67) CYP2A6APPPGRARKMT2A
SCHEMBL12208053 0.77 CYP2A6 (0.50) CYP2A6APPPGRARKMT2A
SCHEMBL22834331 0.77 APP (0.71) CYP2A6APPPGRARKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 — — US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 — — US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 — — 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 (4 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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP CYP2A6 1228/4885APP 3025/4885PGR 1054/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP CYP2A6 1197/4885APP 3185/4885PGR 1153/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP CYP2A6 1197/4885APP 3185/4885PGR 1153/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP CYP2A6 1197/4885APP 3185/4885PGR 1153/4885

“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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