SCHEMBL6420958

SCHEMBL6420958

COC(=O)c1cccc2cc(C)cnc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.68
KDM4E B2RXH2 3/20 0.55
PSMD14 O00487 2/20 0.51
COPS5 Q92905 1/20 0.51
CCR1 P32246 2/20 0.49
CCR5 P51681 2/20 0.49
CCR8 P51685 2/20 0.49
SLC40A1 Q9NP59 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL343891 0.85 PSMD14 (0.51) PARP1KDM4EPSMD14GAAKMT2A
SCHEMBL28892424 0.84 PARP1 (0.55) PARP1KDM4EPSMD14COPS5GAA
SCHEMBL9125289 0.84 PSMD14 (0.50) PARP1KDM4EPSMD14GAAKMT2A
SCHEMBL9355371 0.83 PARP1 (0.74) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL27947204 0.81 PARP1 (1.00) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL9124270 0.81 PARP1 (0.59) PARP1KDM4EPSMD14GAAKMT2A
Lithium Ion SCHEMBL17474375 0.80 PARP1 (0.70) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL18369670 0.79 PSMD14 (0.51) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL7568945 0.78 PARP1 (0.43) PARP1KDM4EPSMD14GAAKMT2A
SCHEMBL344528 0.78 ALDH1A1 (0.65) PARP1KDM4EPSMD14SLC40A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (6 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 PARP1 3130/4885KDM4E 2031/4885PSMD14 4432/4885
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885KDM4E 2429/4885PSMD14 3881/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885KDM4E 2429/4885PSMD14 3881/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 PARP1 659/4885KDM4E 430/4885PSMD14 3957/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885KDM4E 2429/4885PSMD14 3881/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 PARP1 692/4885KDM4E 477/4885PSMD14 3841/4885

“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.