SCHEMBL5154965

SCHEMBL5154965

Cc1cccc(Cl)c1N=C1NCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
HTR1D P28221 3/20 0.31
HTR2C P28335 2/20 0.31
HTR1A P08908 2/20 0.31
POLB P06746 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 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
Clonidine SCHEMBL5982 0.87 MAPT (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL1369983 0.87 MAPT (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
SCHEMBL10831788 0.87 POLB (0.39) HSP90AA1MAPTMEN1KMT2AATM
Clonidine SCHEMBL10972183 0.85 ADRA2A (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL3974275 0.85 ADRA2A (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL1172959 0.85 ADRA2A (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL9838987 0.85 MAPT (0.35) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL40751 0.85 ADRA2A (0.36) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL22127030 0.85 MAPT (0.35) HSP90AA1MAPTMEN1KMT2AHTR1D
Clonidine SCHEMBL22127029 0.83 MAPT (0.34) HSP90AA1MAPTMEN1KMT2AHTR1D

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4287201-A CONTAINING A 2-(SUBSTITUTED PHENYLIMINO)IMIDAZOLIDINE COMPOUND MERCK & CO., INC. (US) 1981-09-01 US claimed
EP-0821585-B1 USE OF ALPHA 1L-AGONISTS IN THE TREATMENT OF URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-10 EP disclosed
US-7019021-B2 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-28 US disclosed
US-6858594-B2 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO KG. (DE) 2005-02-22 US disclosed
US-20040198796-A1 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-07 US disclosed
US-20030114425-A1 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US disclosed
EP-1285653-A1 Use of alpha-1L agonists in the treatment of incontinence Boehringer Ingelheim Pharma KG (DE) 2003-02-26 EP disclosed
US-6268389-B1 Treatment of urinary incontinence by administration of α1L-adrenoceptor agonists BOEHRINGER INGELHEIM KG (DE) 2001-07-31 US disclosed
EP-0821585-A1 USE OF $g(a) 1L? AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1998-02-04 EP disclosed
WO-1996032939-A1 USE OF α1L AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1996-10-24 WO disclosed
EP-0202461-A1 Substituted derivatives of 2-(N-alkenyl-N-phenyl-amino) imidazoline, their acid addition salts, medicaments containing them and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1986-11-26 EP disclosed
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 EP disclosed
EP-0035393-A1 Poultry feeds containing and methods of using anovulatory compounds, and novel anovulatory imidazolines MERCK & CO. INC. (US) 1981-09-09 EP disclosed
US-4287201-A CONTAINING A 2-(SUBSTITUTED PHENYLIMINO)IMIDAZOLIDINE COMPOUND MERCK & CO., INC. (US) 1981-09-01 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-20030114425-A1 Compounds and methods for treating urinary incontinence PDE3A, PDE3B, PDE2A HSP90AA1 3235/4885MAPT 2876/4885MEN1 3795/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 HSP90AA1 2992/4885MAPT 2124/4885MEN1 4355/4885

“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.