SCHEMBL7498907

SCHEMBL7498907

CCCN(CCC)C(=O)CNC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.38
CA1 P00915 3/20 0.37
CYP2D6 P10635 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PYGL P06737 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL24503915 0.91 CA12 (0.41) ALDH1A1HPGDCA12CA9CA2
SCHEMBL25930985 0.90 ALDH1A1 (0.41) ALDH1A1HPGDCA12CA9CA2
SCHEMBL24033160 0.86 CA12 (0.38) ALDH1A1HPGDCA12CA9CA2
SCHEMBL20434084 0.84 CA12 (0.36) ALDH1A1HPGDCA12CA9CA2
SCHEMBL25476655 0.83 CA12 (0.44) CA12CA9CA2CA1
SCHEMBL25476656 0.83 CA12 (0.44) CA12CA9CA2CA1
SCHEMBL13715878 0.81 POLB (0.34) ALDH1A1HPGDCA12CA9CA2
SCHEMBL16297669 0.81 PRMT3 (0.40) ALDH1A1HPGD
SCHEMBL1241071 0.80 LMNA (0.50) ALDH1A1CA12CA9CA2CA1
SCHEMBL3621282 0.79 ALDH1A1 (0.56) ALDH1A1HPGDCA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
US-4788188-A ANTICONVULSANTS, SEDATIVES, ANXIOLYTIC AGENTS SANOFI (S.A.) (FR) 1988-11-29 US 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885HPGD 1795/4885CA12 2086/4885

“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.