SCHEMBL4587005

SCHEMBL4587005

Cc1ccc2cc(C=O)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
CASP6 P55212 1/20 0.53
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 7/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL31428581 1.00 CYP1A2 (0.57) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL29935754 1.00 CYP1A2 (0.57) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL17657687 0.86 CYP1A2 (0.55) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL13410163 0.84 CYP1A2 (0.61) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL22423750 0.82 CYP1A2 (0.50) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL16289772 0.81 CYP1A2 (0.57) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL12248134 0.78 CYP1A2 (0.53) CYP1A2KDM4EPOLBLMNACASP6
SCHEMBL28609497 0.77 KDM4E (0.45) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL4681143 0.77 PLAU (0.57)
SCHEMBL2972151 0.77 ALDH1A1 (0.45) KDM4EPOLBRAB9AALDH1A1CYP2A6

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 US disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed
CN-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US disclosed
EP-0206751-A2 2-Substituted quinolines, their preparation and use MERCK FROSST CANADA INC. (CA) 1986-12-30 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 (5 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS CYP1A2 3982/4885KDM4E 2663/4885POLB 3285/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 CYP1A2 1358/4885KDM4E 145/4885POLB 677/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CYP1A2 4720/4885KDM4E 2665/4885POLB 3047/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP1A2 3456/4885KDM4E 376/4885POLB 1401/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 CYP1A2 53/4885KDM4E 1277/4885POLB 1926/4885

“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.