SCHEMBL5898505

SCHEMBL5898505

Cc1c(N(C)C)cccc1N(S)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 4/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
MAPK1 P28482 2/20 0.33
NSD2 O96028 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4919799 0.76 SIGMAR1 (0.42) GAAMAPTTSHRALDH1A1TP53
SCHEMBL5642052 0.76 MAPT (0.55) GAAMAPTTSHRALDH1A1TP53
SCHEMBL17223782 0.75 GAA (0.38) GAAMAPTTSHRALDH1A1TP53
SCHEMBL13451052 0.74 GAA (0.52) GAAMAPTTSHRALDH1A1TP53
SCHEMBL9686484 0.74 SIGMAR1 (0.32) GAAALDH1A1KDM4ELMNAPARP1
SCHEMBL28085048 0.71 GAA (0.38) GAAMAPTTSHRALDH1A1TP53
SCHEMBL11174076 0.69 MYC (0.36) MAPTALDH1A1TP53KDM4EMAPK1
SCHEMBL1116304 0.69 CYP3A4 (0.36) GAAMAPTTSHRALDH1A1TP53
SCHEMBL1116324 0.69 KDM4E (0.43) GAAMAPTTSHRALDH1A1TP53
SCHEMBL11543026 0.69 GABRA1 (0.38) GAAMAPTTSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 GAA 1320/4885MAPT 2876/4885TSHR 2606/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 GAA 907/4885MAPT 2124/4885TSHR 4526/4885
US-20020040150-A1 SKIN TREATMENT COMPOSITONS CONTAINING A CATIONIC POLYMER AND A MICROPARTICLE OR NANOPARTICLE VECTOR COL1A1, TPSAB1, TACR1 GAA 1011/4885MAPT 875/4885TSHR 3011/4885

“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.