SCHEMBL12207809

SCHEMBL12207809

CC(C)(C)c1cnc([N+](=O)[O-])s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 3/20 0.33
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GALR3 O60755 1/20 0.32
RAB9A P51151 3/20 0.31
LMNA P02545 3/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 2/20 0.30
S1PR4 O95977 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL15177268 0.74
SCHEMBL1207021 0.70 MGAM (0.50) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL2792623 0.69
SCHEMBL6507465 0.69
SCHEMBL22680643 0.69
Nitrogen SCHEMBL28836464 0.67 ALDH1A1 (0.46) ALDH1A1HPGDALOX15MAPTNPSR1
SCHEMBL1774876 0.66 PDPK1 (0.32) PDPK1
SCHEMBL17304646 0.66 MAPT (0.43) ALDH1A1HPGDALOX15MAPTPKM
SCHEMBL10399837 0.66 MAPT (0.34) ALDH1A1HPGDALOX15MAPTNPSR1
SCHEMBL12972628 0.65 ALDH1A1 (0.36) ALDH1A1HPGDALOX15MAPTNPSR1

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.