SCHEMBL4383623

SCHEMBL4383623

CC(N)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.63
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL29832942 1.00 TDP1 (0.63) TDP1MEN1KMT2AGAAMAOA
SCHEMBL29154833 0.98 MEN1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL21985071 0.98 MEN1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL30163663 0.98 MEN1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL2917277 0.93 MEN1 (0.68) TDP1MEN1KMT2AGAAMAOA
SCHEMBL24664899 0.87 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL18857298 0.87 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL6848535 0.87 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL28219956 0.86 MEN1 (0.57) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1654204 0.86 MEN1 (0.57) TDP1MEN1KMT2AGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306372-B1 HETEROCYCLE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2009-11-18 EP disclosed
US-6794389-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-09-21 US disclosed
US-20030119855-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-06-26 US disclosed
EP-1306372-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-05-02 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-20030119855-A1 Heterocycle derivatives and drugs OPRL1, OPRK1, OPRD1 TDP1 3703/4885MEN1 4755/4885KMT2A 2295/4885

“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.