SCHEMBL12208069

SCHEMBL12208069

CCc1ccc(-c2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ XDH P47989 1/20 0.43
▸ ATG4B Q9Y4P1 7/20 0.43
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40

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
SCHEMBL12208210 0.84 ATG4B (0.46) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL12597661 0.84 ATG4B (0.43) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL15545484 0.82 ALDH1A1 (0.41) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL13298952 0.78 XDH (0.44) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL5743046 0.78 ALDH1A1 (0.47) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL12208049 0.74 CYP2A6 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL26759059 0.74 XDH (0.56) ALDH1A1RAB9ALMNAMEN1NPC1
SCHEMBL12446505 0.73 ALDH1A1 (0.53) ALDH1A1HPGDALOX15RAB9ALMNA
SCHEMBL15090573 0.73 HSD17B1 (0.47) ALDH1A1HPGDRAB9ALMNANPC1
SCHEMBL10265856 0.73 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2MAPT

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 ALDH1A1 1886/4885HPGD 1615/4885ALOX15 2501/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP ALDH1A1 1961/4885HPGD 1569/4885ALOX15 2521/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP ALDH1A1 1961/4885HPGD 1569/4885ALOX15 2521/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP ALDH1A1 1961/4885HPGD 1569/4885ALOX15 2521/4885

“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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