SCHEMBL4271373

SCHEMBL4271373

O=C(CNOCc1ccccc1)OP(=O)(O)Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TSHR P16473 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HRAS P01112 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
CETP P11597 3/20 0.38
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38

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
SCHEMBL27725217 0.86 TSHR (0.45) NPC1RAB9ATSHRCA1CA2
SCHEMBL7214230 0.85 NPC1 (0.50) NPC1RAB9ATSHRCA1CA2
SCHEMBL3971071 0.83 NPC1 (0.42) NPC1RAB9ATSHRCA1CA2
SCHEMBL1160560 0.76 NPC1 (0.55) NPC1RAB9ATSHRCA1CA2
SCHEMBL27453500 0.74 NPC1 (0.46) NPC1RAB9ACA1CA2CA9
SCHEMBL4282703 0.73 CA1 (0.46) NPC1RAB9ATSHRCA1CA2
SCHEMBL4282571 0.73 CA1 (0.46) NPC1RAB9ATSHRCA1CA2
SCHEMBL27536452 0.73 CA1 (0.46) NPC1RAB9ATSHRCA1CA2
SCHEMBL4422666 0.73 NPC1 (0.45) NPC1RAB9ACA1ALDH1A1CA12
SCHEMBL28460302 0.72 TACR1 (0.43) NPC1RAB9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
US-7608599-B2 Antiviral phosphoramidates ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 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 (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-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B NPC1 1467/4885RAB9A 165/4885TSHR 1539/4885

“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.