SCHEMBL214027

SCHEMBL214027

O=C1NCCc2c(OCCCCN3CCCCC3)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 1.00
PARP1 P09874 1/20 1.00
HRH3 Q9Y5N1 8/20 0.54
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL29478301 1.00 TRPM2 (1.00) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL7587804 0.96 TRPM2 (0.93) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL5074084 0.94 PARP1 (0.89) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL7583074 0.93 PARP1 (0.87) TRPM2PARP1HRH3ALDH1A1KDM4E
SCHEMBL9196870 0.80 PARP1 (0.66) TRPM2PARP1
SCHEMBL5076323 0.80 PARP1 (0.66) TRPM2PARP1ALDH1A1KDM4EKMT2A
SCHEMBL7586205 0.79 PARP1 (0.65) TRPM2PARP1HTR2ACYP1A2CYP2C19
SCHEMBL4717294 0.79 PARP1 (0.65) TRPM2PARP1
SCHEMBL7583746 0.79 ABCB1 (0.74) TRPM2PARP1CYP2D6CYP2C19
SCHEMBL9447382 0.79 ABCB1 (0.74) TRPM2PARP1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230383363-A1 METHOD FOR DETERMINING SENSITIVITY TO PARP INHIBITOR OR DNA DAMAGING AGENT USING NON-FUNCTIONAL TRANSCRIPTOME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-11-30 US claimed
EP-4243023-A1 METHOD FOR DETERMINING SENSITIVITY TO PARP INHIBITOR OR DNA DAMAGING AGENT USING NON-FUNCTIONAL TRANSCRIPTOME Korea Advanced Institute of Science and Technology (KR) 2023-09-13 EP claimed
WO-2022098086-A1 METHOD FOR DETERMINING SENSITIVITY TO PARP INHIBITOR OR DNA DAMAGING AGENT USING NON-FUNCTIONAL TRANSCRIPTOME 한국과학기술원 2022-05-12 WO claimed
WO-2021086107-A1 METHOD FOR DETERMINING REACTIVITY TO PARP INHIBITOR (재)록원바이오융합연구재단 2021-05-06 WO claimed
US-10159685-B2 Vascular calcification CAMBRIDGE ENTERPRISE LIMITED (GB) 2018-12-25 US claimed
US-20170360809-A1 VASCULAR CALCIFICATION KING'S COLLEGE LONDON (GB) 2017-12-21 US claimed
US-20060094676-A1 Compositions and methods for treating cancer using compositions comprising an inhibitor of endothelin receptor activity CALIFORNIA INSTITUTE OF TECHNOLOGY 2006-05-04 US claimed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
US-RE50319-E1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-03-04 US disclosed
EP-3697767-B1 COMPOUNDS AND METHODS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2024-09-11 EP disclosed
EP-4376822-A1 TREATING CANCERS WITH COMBINATIONS OF PARP INHIBITOR AND ACYLFULVENES Lantern Pharma Inc. (US) 2024-06-05 EP disclosed
WO-2024016014-A2 METHOD FOR TREATING BREAST CANCERS AND PARP RESISTANT BREAST CANCERS LANTERN PHARMA INC. (US) 2024-01-18 WO disclosed
US-20230383363-A1 METHOD FOR DETERMINING SENSITIVITY TO PARP INHIBITOR OR DNA DAMAGING AGENT USING NON-FUNCTIONAL TRANSCRIPTOME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-11-30 US disclosed
WO-1999011649-A2 PARP INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS OF USING SAME GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO disclosed
WO-1999011644-A1 DI-N-HETEROCYCLIC COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO disclosed
WO-1999008680-A1 METHOD OF USING SELECTIVE PARP INHIBITORS TO PREVENT OR TREAT NEUROTOXICITY THE JOHNS HOPKINS UNIVERSITY (US) 1999-02-25 WO disclosed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 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 (2 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-20170360809-A1 VASCULAR CALCIFICATION PARP1, PARP2, PARP11 TRPM2 2977/4885PARP1 1/4885HRH3 3800/4885
US-10159685-B2 Vascular calcification PARP1, PARP2, PARP11 TRPM2 2977/4885PARP1 1/4885HRH3 3800/4885

“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.