SCHEMBL976367

SCHEMBL976367

C1=Cc2ncc3ccccc3c2CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PARP1 P09874 1/20 0.30
PRKCI P41743 1/20 0.30
PDE4B Q07343 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30343302 0.98 KDM4E (0.39) KDM4EGPR3TDP1
SCHEMBL28440790 0.85 TDP1 (0.35) KDM4EGPR3TDP1
SCHEMBL29617599 0.84 KDM4E (0.33) KDM4EGPR3TDP1MAPK1ALDH1A1
SCHEMBL418143 0.84 KDM4E (0.33) KDM4EGPR3TDP1MAPK1ALDH1A1
Water SCHEMBL28095816 0.83 KDM4E (0.32) KDM4EGPR3TDP1MAPK1ALDH1A1
SCHEMBL23018970 0.76 CYP2A6 (0.36) ALDH1A1
SCHEMBL4994526 0.76 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL27904838 0.73
SCHEMBL1829666 0.71 KDM4E (0.39) KDM4EGPR3TDP1MAPK1ALDH1A1
SCHEMBL9350114 0.71 KDM4E (0.39) KDM4EGPR3TDP1ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120231-B Fluorescent imaging method for cell nucleus in living cell 佛山大学 2024-10-01 CN claimed
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP claimed
CN-116120231-A Fluorescent imaging method for cell nucleus in living cell 佛山科学技术学院 2023-05-16 CN claimed
EP-3421454-B1 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-04-05 EP claimed
CN-108884044-B Piperidine derivatives 大塚制药株式会社 2023-01-31 CN claimed
CN-113045496-B Method for selectively synthesizing dihydrophenanthridine or phenanthridine compounds 河南师范大学 2022-04-26 CN claimed
CN-113045496-A Method for selectively synthesizing dihydrophenanthridine or phenanthridine compounds 河南师范大学 2021-06-29 CN claimed
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 US claimed
CN-109438349-A 6- (alpha-cyano imines) base phenanthridines class compound and its synthetic method 上海大学 2019-03-08 CN claimed
US-20190040039-A1 PIPERIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-07 US claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US claimed
EP-1392289-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP claimed
US-20030092703-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP claimed
WO-2002094263-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-28 WO claimed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US claimed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed

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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 KDM4E 759/4885GPR3 1827/4885TDP1 2016/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 KDM4E 759/4885GPR3 1827/4885TDP1 2016/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 KDM4E 1265/4885GPR3 4349/4885TDP1 4747/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 KDM4E 1877/4885GPR3 2298/4885TDP1 2786/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 KDM4E 1265/4885GPR3 4349/4885TDP1 4747/4885

“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.