SCHEMBL3650259

SCHEMBL3650259

C=CCc1[c][nH]c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 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
SCHEMBL640081 0.75 KIF11 (0.39) ALDH1A1HTTHSD17B10GPR3MAPT
SCHEMBL5327645 0.75 ALDH1A1 (0.36) ALDH1A1LMNAHTTDRD3HSD17B10
SCHEMBL7404828 0.75 HTR2A (0.36) ALDH1A1LMNAHTTHTR1DHTR2A
SCHEMBL3381548 0.75 ALDH1A1 (0.36) ALDH1A1LMNAHTTHSD17B10GPR3
SCHEMBL10505940 0.73 GABRA1 (0.35) ALDH1A1HTR1AHTR1DHTR2AHTR2C
SCHEMBL16432092 0.72 TAAR1 (0.46) ALDH1A1HTR1DHTR2AHTR2CSLC6A4
SCHEMBL6709570 0.72 KMT2A (0.46) ALDH1A1HTTHTR6HSD17B10MAPT
SCHEMBL6470274 0.72 CHRNB2 (0.41) ALDH1A1HTR2AHSD17B10GPR3RAB9A
SCHEMBL928608 0.70 ALDH1A1 (0.47) ALDH1A1LMNAHTR1AHTR2AHTR2C
SCHEMBL4142895 0.69 KDM4E (0.42) ALDH1A1HSD17B10RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217505-A Novel marker targeting agents for diagnosis or treatment of cancers expressing prostate specific membrane antigen 南京医科大学 2023-06-06 CN claimed
EP-4021447-A1 METHODS AND USES FOR APELIN RECEPTOR AGONISTS Research Triangle Institute (US) 2022-07-06 EP claimed
WO-2021041791-A1 METHODS AND USES FOR APELIN RECEPTOR AGONISTS RTI INTERNATIONAL, INC. (US) 2021-03-04 WO claimed
US-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2019-11-14 US claimed
EP-3555071-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 EP claimed
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RES TRIANGLE INST (US) 2019-10-17 US claimed
WO-2018107201-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 WO claimed
EP-3152200-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute (US) 2017-04-12 EP claimed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 US claimed
WO-2015188073-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2015-12-10 WO claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 US claimed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
EP-0156456-B1 [(1,3,-dioxo-1,3-propanediyl)diimino] bisbenzoic acid derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP claimed
EP-0156456-A1 [(1,3,-dioxo-1,3-propanediyl)diimino] bisbenzoic acid derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP claimed
US-4396616-A DIURETICS, ENZYME INHIBITORS MERCK & CO., INC. (US) 1983-08-02 US claimed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP 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 (3 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-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP ALDH1A1 3849/4885LMNA 2587/4885HTT 2954/4885
US-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF HPSE, HEXD, ENGASE ALDH1A1 1394/4885LMNA 2952/4885HTT 107/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP ALDH1A1 3849/4885LMNA 2587/4885HTT 2954/4885

“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.