SCHEMBL2904716

SCHEMBL2904716

CNCCc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.62
TAAR1 Q96RJ0 5/20 0.59
HSPA5 P11021 1/20 0.56
HTR2A P28223 2/20 0.54
SLC6A4 P31645 1/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
HTR1A P08908 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
ATM Q13315 1/20 0.50

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
Bromide SCHEMBL15398510 0.98 MPO (0.60) MPOTAAR1HSPA5HTR2ASLC6A4
SCHEMBL8971956 0.88 MPO (0.65) MPOTAAR1HSPA5SLC6A4CA12
SCHEMBL2468728 0.83 HTR2A (0.56) MPOTAAR1HTR2ACA2HTR1A
SCHEMBL6502524 0.83 TAAR1 (0.59) MPOTAAR1HTR2ASLC6A4HTR1A
SCHEMBL10526958 0.82 MPO (0.80) MPOTAAR1HSPA5SLC6A4CA12
SCHEMBL25454282 0.79 MPO (0.69) MPOTAAR1HTR2ASLC6A4CA12
Ethane SCHEMBL10694585 0.79 TAAR1 (0.65) MPOTAAR1HSPA5SLC6A4CA12
SCHEMBL27381790 0.78 MPO (0.62) MPOTAAR1HSPA5SLC6A4CA12
SCHEMBL24702011 0.78 MPO (0.62) MPOTAAR1HSPA5SLC6A4CA12
SCHEMBL1222973 0.78 TAAR1 (0.71) MPOTAAR1HSPA5SLC6A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
EP-0807109-A1 SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT 1D? RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-11-19 EP disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
EP-0796258-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-09-24 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996023785-A1 SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-08-08 WO disclosed
WO-1996017842-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-06-13 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
US-4717724-A FUNGICIDES, ANTIPROTOZOA, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-05 US disclosed
EP-0121753-A2 1-(1,3-Dioxolan-2-ylmethyl)-azoles, their salts, processes for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-17 EP disclosed
US-4094635-A Meta-aminophenol sulfonamides as couplers in hair dye compositions L'OREAL (FR) 1978-06-13 US 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 (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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK MPO 3818/4885TAAR1 933/4885HSPA5 2565/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX MPO 263/4885TAAR1 4519/4885HSPA5 338/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE MPO 343/4885TAAR1 3396/4885HSPA5 1287/4885

“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.