SCHEMBL5157568

SCHEMBL5157568

Clc1ccc(Cl)c(N=C2NCCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
AHR P35869 3/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
F7 P08709 1/20 0.33
PARP1 P09874 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
SCHEMBL5157866 0.85 ITGB3 (0.40) HPGDSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL5154778 0.81 CYP3A4 (0.42) HPGDSMN1; SMN2CYP3A4MAPTTSHR
SCHEMBL4716261 0.81 ALDH1A1 (0.42) HPGDSMN1; SMN2TP53CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL10858824 0.80 CYP3A4 (0.41) HPGDSMN1; SMN2CYP3A4MAPTTSHR
SCHEMBL11375823 0.78 AHR (0.32) AHRTSHRHTR2AHTR2CHTR2B
SCHEMBL10689485 0.78 ALDH1A1 (0.46) HPGDSMN1; SMN2TP53CYP3A4MAPT
SCHEMBL11370293 0.78 AHR (0.33) AHR
SCHEMBL5154887 0.78 MEN1 (0.43) TSHRALDH1A1HTR2AHTR2CHTR2B
SCHEMBL11364210 0.76 NPC1 (0.50) HPGDSMN1; SMN2MAPTCYP2C19TSHR
SCHEMBL11365979 0.74 NOTUM (0.37) CYP3A4AHRHTR2AHTR2CHTR2B

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 9 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-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 (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 HPGD 135/4885SMN1; SMN2 2033/4885TP53 4881/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 HPGD 176/4885SMN1; SMN2 539/4885TP53 4606/4885

“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.