SCHEMBL1809949

SCHEMBL1809949

CC(C)C[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTSL P07711 6/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSB P07858 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL1812174 0.90 ELANE (0.45) NPC1RAB9ACTSLCTSB
SCHEMBL1810398 0.88 CTSK (0.44) NPC1RAB9ACTSLTP53
SCHEMBL1809484 0.88 NPC1 (0.50) NPC1RAB9AGAAALDH1A1TP53
SCHEMBL10004489 0.81 RAB9A (0.49) NPC1RAB9ACTSLGAAKMT2A
SCHEMBL12621369 0.81 CTSL (0.46) NPC1RAB9ACTSLCTSBHTR2A
SCHEMBL1817702 0.81 NOS3 (0.41) CTSLCTSB
SCHEMBL28449915 0.79 CTSK (0.46) CTSLCTSB
SCHEMBL10004061 0.79 NPC1 (0.51) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL644062 0.79 NPC1 (0.51) NPC1RAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL1810431 0.78 ANPEP (0.45) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904365-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2021-11-03 EP disclosed
US-RE47589-E1 Phosphoramidate compounds and methods of use NuCana plc (GB) 2019-09-03 US disclosed
EP-3486251-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2019-05-22 EP disclosed
EP-3040340-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2018-11-14 EP disclosed
EP-2955190-B1 Chemical compounds NuCana plc (GB) 2018-03-28 EP disclosed
EP-1646639-B1 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS NUCANA BIOMED LTD (GB) 2016-08-17 EP disclosed
EP-3040340-A1 CHEMICAL COMPOUNDS NuCana BioMed Limited (GB) 2016-07-06 EP disclosed
EP-2955190-A2 Chemical compounds NuCana BioMed Limited (GB) 2015-12-16 EP disclosed
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 US disclosed
US-20060142238-A1 Chemical compounds NuCana plc (GB) 2006-06-29 US disclosed
EP-1646639-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS University College Cardiff Consultants, Ltd. (GB) 2006-04-19 EP disclosed
WO-2005012327-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-02-10 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-20060142238-A1 Chemical compounds NUDT1, DCK, PNP NPC1 1147/4885RAB9A 557/4885CTSL 1225/4885

“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.