SCHEMBL5162446

SCHEMBL5162446

O=[C]Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TACR2 P21452 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR6 P50406 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
GALE Q14376 1/20 0.41
LMNA P02545 2/20 0.38

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
SCHEMBL11310644 0.75 TP53 (0.42) LMNATDP1TSHRHSD17B10
SCHEMBL4593313 0.75 TDP1 (0.47) NR1I2ADORA3SLC6A2SLC6A3LMNA
SCHEMBL2641377 0.70 NR1I2 (0.60) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL11315734 0.70 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3TSHRAHR
SCHEMBL28105594 0.69 MPO (0.47) NR1I2ADRA2AADORA3ADRA2BADRA2C
SCHEMBL11715356 0.69 NPC1 (0.41) LMNAMAPK1TDP1TSHRL3MBTL1
SCHEMBL98679 0.69 CA12 (0.45) SLC6A2HTR2ASLC6A4SLC6A3KCNH2
SCHEMBL54888 0.68 LMNA (0.47) SLC6A2SLC6A4SLC6A3LMNATDP1
SCHEMBL2089456 0.67 CYP3A4 (0.36) MAPK1TDP1AHRFABP3
SCHEMBL95604 0.67 HSP90AA1 (0.44) SLC6A2SLC6A4SLC6A3LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US claimed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
EP-1515983-B1 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO KG (DE) 2007-02-21 EP disclosed
US-20060258571-A1 Antibacterial ester macrocycles AICURIS GMBH & CO. KG (DE) 2006-11-16 US disclosed
EP-1526896-A1 ANTIBACTERIAL ESTER MACROCYCLES Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2004012816-A1 ANTIBACTERIAL ESTER MACROCYCLES BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003106480-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2003-12-24 WO disclosed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0412350-A2 Renininhibitors, procedure for their preparation and use as medicaments BAYER AG (DE) 1991-02-13 EP disclosed
EP-0403828-A1 Renin-inhibiting peptides, their preparation and their use in medicaments BAYER AG (DE) 1990-12-27 EP disclosed
EP-0393445-A2 Use of peptide renin inhibitors as an agent against retrovirus BAYER AG (DE) 1990-10-24 EP disclosed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP disclosed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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 (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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 NR1I2 859/4885ADRA2A 3738/4885ADORA3 3345/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 NR1I2 170/4885ADRA2A 4310/4885ADORA3 4425/4885

“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.