SCHEMBL5898337

SCHEMBL5898337

Nc1c(Br)cc(N=C2NCCN2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA9 Q16790 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
Bromide SCHEMBL11377937 0.98 GAA (0.38) GAAMAPTCA1CA2CA3
Hydrochloric Acid SCHEMBL11358117 0.98 GAA (0.38) GAAMAPTCA1CA2CA3
Hydrochloric Acid SCHEMBL10877604 0.74 ALDH1A1 (0.38) CA1CA2CA9
SCHEMBL5155419 0.73
SCHEMBL10880421 0.72 GAA (0.39) GAAMAPT
SCHEMBL10879292 0.72 POLB (0.38)
Hydrochloric Acid SCHEMBL11004812 0.71 GAA (0.38) GAAMAPT
Hydrochloric Acid SCHEMBL11352198 0.71 IDO1 (0.37)
Hydrochloric Acid SCHEMBL10817570 0.71 POLB (0.37)
Bromide SCHEMBL11367894 0.71 IDO1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293564-A BRADYCARDIAC BOEHRINGER INGELHEIM GMBH (DE) 1981-10-06 US claimed
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
US-4293564-A BRADYCARDIAC BOEHRINGER INGELHEIM GMBH (DE) 1981-10-06 US disclosed
US-4293564-A BRADYCARDIAC BOEHRINGER INGELHEIM GMBH (DE) 1981-10-06 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 GAA 1320/4885MAPT 2876/4885CA1 2266/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 GAA 907/4885MAPT 2124/4885CA1 1919/4885

“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.