SCHEMBL721858

SCHEMBL721858

O=P(Cl)(Cl)OOc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 3/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL721445 0.84 ALDH1A1 (0.51) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL17164822 0.75 NPC1 (0.61) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL21178269 0.74 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APOLBMAPT
Phosphoric Acid SCHEMBL11883589 0.74 NPC1 (0.64) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL27620749 0.72 NPC1 (0.53) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL27680141 0.72 AGXT (0.61) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL6985088 0.72 ALDH1A1 (0.67) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL7048352 0.72 NPC1 (0.57) ALDH1A1NPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL8055454 0.72 NPC1 (0.57) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL219324 0.72 PDGFRB (0.59) ALDH1A1NPC1RAB9APOLBMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO 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 (1 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP ALDH1A1 4139/4885NPC1 927/4885RAB9A 1980/4885

“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.