SCHEMBL5154978

SCHEMBL5154978

Cc1ccc(N)cc1N=C1NCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CASP1 P29466 4/20 0.41
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
PDE10A Q9Y233 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
THRB P10828 2/20 0.32
PLA2G7 Q13093 1/20 0.32
NR4A1 P22736 1/20 0.32
PTK2B Q14289 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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 SCHEMBL11018810 0.98 ALDH1A1 (0.41) ALDH1A1CASP1CYP3A4TSHRPDE10A
Flutonidine SCHEMBL5154947 0.79 NISCH (0.41) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4716261 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL5154778 0.79 CYP3A4 (0.42) ALDH1A1CASP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL10858824 0.77 CYP3A4 (0.41) ALDH1A1CASP1CYP3A4TSHRMAPT
SCHEMBL10856764 0.76 ALDH1A1 (0.32) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10978799 0.74 ALDH1A1 (0.31) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL11356667 0.73 MAPT (0.38) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL8619688 0.73 USP2 (0.45) ALDH1A1TSHRMAPTLMNASMN1; SMN2
SCHEMBL24423487 0.72 ALDH1A1 (0.56) ALDH1A1CASP1CYP3A4TSHRPDE10A

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 10 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 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

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 ALDH1A1 181/4885CASP1 3825/4885CYP3A4 3857/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 ALDH1A1 28/4885CASP1 3571/4885CYP3A4 1909/4885
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR COL1A1, TPSAB1, TACR1 ALDH1A1 636/4885CASP1 1410/4885CYP3A4 2807/4885

“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.