SCHEMBL5201986

SCHEMBL5201986

CCOC(=O)Cc1ccc(CC(=O)OCC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
PDK1 Q15118 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5092015 0.94 LMNA (0.49) LMNAMEN1HTTKMT2ACYP1A2
SCHEMBL5201991 0.93 CYP1A2 (0.52) LMNAMEN1HTTKMT2ACYP1A2
SCHEMBL5201988 0.93 CYP1A2 (0.52) LMNAMEN1HTTKMT2ACYP1A2
SCHEMBL18932535 0.93 LMNA (0.44) LMNAMEN1HTTKMT2ACYP1A2
SCHEMBL13400411 0.87 TSHR (0.49) LMNAKMT2ACYP1A2PDGFRBFGFR1
SCHEMBL1695161 0.86 EGFR (0.48) LMNAKMT2ACYP1A2PDGFRBFGFR1
SCHEMBL492505 0.86 CYP1A2 (0.64) LMNAMEN1HTTKMT2ACYP1A2
SCHEMBL3723783 0.86 LMNA (0.49) LMNAMEN1HTTKMT2AALDH1A1
SCHEMBL1694828 0.86 MAPT (0.49) LMNAMEN1HTTKMT2AALDH1A1
SCHEMBL16412469 0.85 PDGFRB (0.57) MEN1KMT2ACYP1A2PDGFRBFGFR1

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-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 EP disclosed
EP-1179532-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR EISAI R&D MAN CO LTD (JP) 2007-06-13 EP disclosed
US-6573384-B1 1,4-substituted cyclic amine compound which is useful as a pharmaceutical, and an intermediate for the process EISAI CO., LTD. (JP) 2003-06-03 US disclosed
EP-1179532-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES AND INTERMEDIATES THEREFOR Eisai Co., Ltd. (JP) 2002-02-13 EP 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-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 LMNA 1018/4885MEN1 116/4885HTT 13/4885

“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.