SCHEMBL5154778

SCHEMBL5154778

Nc1ccc(Cl)c(N=C2NCCN2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
DYRK3 O43781 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL10858824 0.98 CYP3A4 (0.41) CYP3A4TSHRDYRK3CA1CA2
SCHEMBL5157568 0.81 HPGD (0.47) CYP3A4TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL5154978 0.79 ALDH1A1 (0.42) CYP3A4TSHRCA1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL11018810 0.77 ALDH1A1 (0.41) CYP3A4TSHRCA1SMN1; SMN2HPGD
SCHEMBL10879369 0.75 NOTUM (0.31)
SCHEMBL11370293 0.75 AHR (0.33)
SCHEMBL5154887 0.75 MEN1 (0.43) TSHRALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10817888 0.74 NOTUM (0.30)
SCHEMBL11364210 0.73 NPC1 (0.50) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL5155100 0.72 CD44 (0.34) CYP3A4TSHR

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-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-0070084-A2 Imidazoline derivatives BEECHAM GROUP PLC (GB) 1983-01-19 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 CYP3A4 3857/4885TSHR 2606/4885DYRK3 3405/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 CYP3A4 1909/4885TSHR 4526/4885DYRK3 3879/4885
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR COL1A1, TPSAB1, TACR1 CYP3A4 2807/4885TSHR 3011/4885DYRK3 4602/4885

“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.