SCHEMBL5153906

SCHEMBL5153906

Nc1cc(N=C2NCCN2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A1 P04798 1/20 0.30
PARP1 P09874 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
SCHEMBL11240137 0.79 ITGB3 (0.42) MAPT
SCHEMBL10969178 0.79 ALDH1A1 (0.38) LMNAMAPTHSD17B10TDP1
SCHEMBL11238439 0.79 DAPK3 (0.36)
SCHEMBL5154750 0.79 TDP1 (0.41) MAPTTDP1
Hydrochloric Acid SCHEMBL10974604 0.77 ALDH1A1 (0.37) LMNAMAPTHSD17B10TDP1
Hydrochloric Acid SCHEMBL10884932 0.77 TDP1 (0.39) MAPTTDP1
Hydrochloric Acid SCHEMBL11352198 0.77 IDO1 (0.37)
Bromide SCHEMBL11367894 0.77 IDO1 (0.37)
SCHEMBL5898334 0.75 NISCH (0.41) LMNAMAPTHSD17B10
SCHEMBL10967741 0.75 ALOX15 (0.41) MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012822-B1 3,4-DISUBSTITUTED 2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION C.H. BOEHRINGER SOHN (DE) 1982-12-01 EP 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-0012822-B1 3,4-DISUBSTITUTED 2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION C.H. BOEHRINGER SOHN (DE) 1982-12-01 EP disclosed
EP-0012822-A1 3,4-Disubstituted 2-phenylimino-imidazolidines, their acid addition salts, pharmaceutical preparations containing them and process for their production C.H. BOEHRINGER SOHN (DE) 1980-07-09 EP disclosed
EP-0012822-A1 3,4-Disubstituted 2-phenylimino-imidazolidines, their acid addition salts, pharmaceutical preparations containing them and process for their production C.H. BOEHRINGER SOHN (DE) 1980-07-09 EP 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 LMNA 2576/4885MAPT 2876/4885CYP2C9 3604/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 LMNA 1844/4885MAPT 2124/4885CYP2C9 1921/4885
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR COL1A1, TPSAB1, TACR1 LMNA 818/4885MAPT 875/4885CYP2C9 2543/4885

“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.