SCHEMBL16099320

SCHEMBL16099320

CN(C)CCCNC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
MOK Q9UQ07 1/20 0.58
TP53 P04637 6/20 0.57
TACR3 P29371 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.53
MAPT P10636 4/20 0.52
THRB P10828 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MEN1 O00255 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
Hydrochloric Acid SCHEMBL16098467 0.99 HTT (0.60) HTTMOKTP53TACR3KDM4E
SCHEMBL23722872 0.89 HTT (0.75) HTTMOKTP53TACR3KDM4E
Hydrochloric Acid SCHEMBL16102268 0.88 CA12 (0.53) HTTMOKTP53TACR3KDM4E
SCHEMBL23722836 0.86 MOK (0.64) MOKTP53TACR3KDM4EHPGD
SCHEMBL16102247 0.86 TACR3 (0.54) HTTMOKTP53TACR3KDM4E
Hydrochloric Acid SCHEMBL16102479 0.85 TACR3 (0.53) HTTMOKTP53TACR3KDM4E
SCHEMBL14970873 0.82 MOK (0.80) HTTMOKTP53TACR3KDM4E
SCHEMBL16123733 0.79 MOK (0.53) MOKTACR3KDM4EKMT2APOLB
SCHEMBL23722895 0.79 TP53 (0.66) HTTMOKTP53TACR3KDM4E
SCHEMBL23722848 0.78 CA12 (0.60) HTTMOKTP53TACR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US claimed
EP-2976333-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS Genoscience Pharma SAS (FR) 2016-01-27 EP claimed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 WO claimed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
EP-2976333-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS Genoscience Pharma SAS (FR) 2016-01-27 EP disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 WO disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 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 (2 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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 HTT 1324/4885MOK 4634/4885TP53 7/4885
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 HTT 1324/4885MOK 4634/4885TP53 7/4885

“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.