SCHEMBL10102505

SCHEMBL10102505

CCc1sccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
PDK1 Q15118 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.34
MAPK1 P28482 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
SCHEMBL7047752 0.80 PDE7A (0.38) PDE7AMAPTALDH1A1TDP1LMNA
SCHEMBL28683527 0.80 PDE7A (0.41) PDE7AMAPTALDH1A1TDP1LMNA
SCHEMBL5116101 0.80 PDE7A (0.38) PDE7AMAPTALDH1A1TDP1KMT2A
SCHEMBL3048722 0.76 CYP1A2 (0.46) PDE7AMAPTALDH1A1KMT2APOLB
SCHEMBL3803427 0.76 PDE7A (0.36) PDE7AMAPTALDH1A1TDP1LMNA
SCHEMBL31549227 0.76 MAPK1 (0.45) MAPTALDH1A1LMNAKMT2APKM
SCHEMBL875890 0.75 ALOX15 (0.34) PDE7AMAPTALDH1A1TDP1LMNA
SCHEMBL14291947 0.74 MAPT (0.42) MAPTALDH1A1TDP1LMNAKMT2A
SCHEMBL27598784 0.74 PDGFRB (0.45) MAPTALDH1A1LMNAHSD17B10KMT2A
SCHEMBL5841002 0.72

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-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K PDE7A 963/4885MAPT 3315/4885ALDH1A1 3257/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP PDE7A 924/4885MAPT 4228/4885ALDH1A1 1961/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP PDE7A 924/4885MAPT 4228/4885ALDH1A1 1961/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP PDE7A 924/4885MAPT 4228/4885ALDH1A1 1961/4885

“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.