SCHEMBL12208053

SCHEMBL12208053

CC(C)c1ccc(-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 3/20 0.49
▸ PGR P06401 2/20 0.47
▸ AR P10275 1/20 0.44
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35

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
SCHEMBL12208212 0.87 CYP2A6 (0.48) CYP2A6APPPGRARKMT2A
SCHEMBL12231917 0.81 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL10489736 0.81 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL13522725 0.78 APP (0.54) APPMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL8645298 0.77 CYP2A6 (0.54) CYP2A6APPPGRARKMT2A
SCHEMBL6067937 0.77 CYP2A6 (0.67) CYP2A6APPPGRARKMT2A
SCHEMBL12208049 0.77 CYP2A6 (0.50) CYP2A6APPPGRARKMT2A
SCHEMBL22834318 0.77 PGR (0.50) CYP2A6APPPGRARKMT2A
SCHEMBL22834331 0.77 APP (0.71) CYP2A6APPPGRARKMT2A
SCHEMBL3723990 0.76 APP (0.52) APPMAPTSMN1; SMN2KDM4ENPC1

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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