SCHEMBL3392656

SCHEMBL3392656

CC(C)N1CCCCC1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
PARP1 P09874 4/20 0.38
PARP2 Q9UGN5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 2/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL8259429 0.94 ACE (0.37) EPHX1PARP1KDM4EACEREN
SCHEMBL12205476 0.94 ACE (0.37) EPHX1PARP1KDM4EACEREN
SCHEMBL9963377 0.94 ACE (0.37) EPHX1PARP1KDM4EACEREN
SCHEMBL17427852 0.86 EPHX1 (0.36) EPHX1PARP1KMT2A
SCHEMBL17083297 0.86 EPHX1 (0.36) EPHX1PARP1KMT2A
SCHEMBL18574581 0.86 EPHX1 (0.36) EPHX1PARP1KMT2A
SCHEMBL16388299 0.82 PARP1 (0.36) PARP1KDM4EACEREN
SCHEMBL584218 0.82 ACE (0.44) KDM4EACEREN
SCHEMBL584217 0.82 ACE (0.44) KDM4EACEREN
SCHEMBL26723935 0.82 PARP1 (0.36) PARP1KDM4EACEREN

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
CN-113416229-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活英属哥伦比亚有限公司 2024-12-13 CN disclosed
WO-2023164246-A1 URACIL DERIVATIVES FOR STIMULATING READ-THROUGH OF PREMATURE TERMINATION CODONS SOUTHERN RESEARCH INSTITUTE (US) 2023-08-31 WO disclosed
US-11529338-B2 Compositions and methods for treating cancer CEDARS-SINAI MEDICAL CENTER (US) 2022-12-20 US disclosed
US-20200188373-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CEDARS-SINAI MEDICAL CENTER (US) 2020-06-18 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
EP-3087091-A1 VAR2CSA-DRUG CONJUGATES Zymeworks Inc. (CA) 2016-11-02 EP disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
WO-2015095952-A1 VAR2CSA-DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 WO disclosed
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 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 (4 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 EPHX1 3588/4885PARP1 1479/4885PARP2 2532/4885
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 EPHX1 1303/4885PARP1 92/4885PARP2 227/4885
US-11529338-B2 Compositions and methods for treating cancer CHRNB2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNMT EPHX1 2009/4885PARP1 3274/4885PARP2 2272/4885
US-20200188373-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CHRNB2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NNMT EPHX1 2009/4885PARP1 3274/4885PARP2 2272/4885

“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.