SCHEMBL14596454

SCHEMBL14596454

Cc1ccc([N+](=O)[O-])n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL14364106 0.77 ALDH1A1 (0.39) CYP1A2CYP2C9HSD17B10ACHEMAPT
SCHEMBL14364101 0.76 PKM (0.37) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL15804011 0.72 MAPT (0.55) HSD17B10ACHEMAPTKDM4EALDH1A1
SCHEMBL29042327 0.72 MAPT (0.55) HSD17B10ACHEMAPTKDM4EALDH1A1
SCHEMBL6736550 0.72 KMT2A (0.43) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL868224 0.71 MAPT (0.35) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL7049450 0.71 CYP1A2 (0.37) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL7048214 0.71 SMN1; SMN2 (0.40) CYP1A2CYP2C9MAPTKDM4EALDH1A1
SCHEMBL27849203 0.70 KCNJ1 (0.35) CYP1A2CYP2C9HSD17B10ACHEMAPT
SCHEMBL27849204 0.70 MAPT (0.33) CYP1A2CYP2C9MAPTKDM4EALDH1A1

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 7 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-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 US disclosed
US-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 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 (2 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-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP CYP1A2 3506/4885CYP2C9 3229/4885HSD17B10 4005/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP CYP1A2 3506/4885CYP2C9 3229/4885HSD17B10 4005/4885

“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.