SCHEMBL5155100

SCHEMBL5155100

Cc1cc(Cl)c(N=C2NCCN2)cc1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL10879732 0.98 CD44 (0.33) CD44CYP3A4TSHRMAPK1
Bromide SCHEMBL11449519 0.98 CD44 (0.33) CD44CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL11201776 0.85 GAA (0.34) CD44
SCHEMBL11448565 0.84 CD44 (0.33) CD44
Bromide SCHEMBL11460416 0.83 CD44 (0.32) CD44
SCHEMBL11370293 0.76 AHR (0.33)
Tolonidine SCHEMBL5154884 0.72 RNASEL (0.38) CYP3A4
SCHEMBL5154778 0.72 CYP3A4 (0.42) CYP3A4TSHR
Hydrochloric Acid SCHEMBL10858824 0.71 CYP3A4 (0.41) CYP3A4TSHR
SCHEMBL11449342 0.70 CD44 (0.31) CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821585-B1 USE OF ALPHA 1L-AGONISTS IN THE TREATMENT OF URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-10 EP claimed
US-20030114425-A1 Compounds and methods for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US claimed
EP-1285653-A1 Use of alpha-1L agonists in the treatment of incontinence Boehringer Ingelheim Pharma KG (DE) 2003-02-26 EP claimed
JP-3379960-B2 2003-02-24 JP claimed
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR ESSER FRANZ (DE) 2002-04-04 US claimed
EP-0821585-A1 USE OF $g(a) 1L? AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1998-02-04 EP claimed
WO-1996032939-A1 USE OF α1L AGONISTS IN THE TREATMENT OF INCONTINENCE BOEHRINGER INGELHEIM KG (DE) 1996-10-24 WO 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-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR ESSER FRANZ (DE) 2002-04-04 US 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
US-4213995-A HYPOTENSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-22 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-20030114425-A1 Compounds and methods for treating urinary incontinence PDE3A, PDE3B, PDE2A CD44 1584/4885CYP3A4 3857/4885TSHR 2606/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 CD44 729/4885CYP3A4 1909/4885TSHR 4526/4885
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR COL1A1, TPSAB1, TACR1 CD44 834/4885CYP3A4 2807/4885TSHR 3011/4885

“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.