SCHEMBL1809382

SCHEMBL1809382

CCOC(=O)C(C)(N)Cc1ccc([N+](=O)[O-])cc1.O=P(O)(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
AKR1C3 P42330 1/20 0.43
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 5/20 0.41
PRKCZ Q05513 1/20 0.41
ALDH1A1 P00352 5/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL1810689 0.88 ALDH1A1 (0.47) AKR1C3NPC1GAARAB9AMAPT
SCHEMBL1808143 0.86 RAB9A (0.47) AKR1C3NPC1GAARAB9AMAPT
SCHEMBL1811459 0.84 CYP3A4 (0.49) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL1809438 0.82 MMP8 (0.53) LMNAMAPTALDH1A1KMT2APOLB
SCHEMBL2370645 0.79 MMP8 (0.52) LMNAKCNJ1KCNH2NPC1GAA
SCHEMBL27492676 0.77 PRKCZ (0.44) LMNAKCNJ1KCNH2NPC1GAA
SCHEMBL811589 0.77 LMNA (0.47) LMNAKCNJ1KCNH2NPC1GAA
SCHEMBL1773480 0.76 CYP3A4 (0.55) LMNAMAPTALDH1A1KMT2APOLB
SCHEMBL4299713 0.76 CYP3A4 (0.55) LMNAMAPTALDH1A1KMT2APOLB
SCHEMBL9308781 0.76 MMP8 (0.52) LMNAKCNJ1KCNH2GAARAB9A

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 11 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-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 LMNA 2434/4885KCNJ1 3736/4885KCNH2 3854/4885

“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.