SCHEMBL5898334

SCHEMBL5898334

Cc1ccc(N=C2NCCN2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.41
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACHE P22303 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
SCHEMBL11238439 0.86 DAPK3 (0.36) NISCHACHE
SCHEMBL5154750 0.79 TDP1 (0.41) MAPTTSHRMEN1KMT2AALDH1A1
Bromide SCHEMBL11354189 0.77 ACHE (0.39) MAPTHTTTSHRHSD17B10MEN1
Hydrochloric Acid SCHEMBL10884932 0.77 TDP1 (0.39) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL5153906 0.75 LMNA (0.33) MAPTHSD17B10LMNA
SCHEMBL11240137 0.75 ITGB3 (0.42) NISCHMAPTHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL11352198 0.74 IDO1 (0.37)
Bromide SCHEMBL11367894 0.74 IDO1 (0.37)
SCHEMBL3782607 0.72 HPGD (0.42) NISCHMAPTHTTHSD17B10MEN1
SCHEMBL11857540 0.72 MAPT (0.47) NISCHMAPTHTTTSHRHSD17B10

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 11 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
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
EP-0202461-A1 Substituted derivatives of 2-(N-alkenyl-N-phenyl-amino) imidazoline, their acid addition salts, medicaments containing them and process for their preparation BOEHRINGER INGELHEIM KG (DE) 1986-11-26 EP 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

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 NISCH 492/4885MAPT 2876/4885HTT 3766/4885
US-20040198796-A1 Compounds and methods for treating urinary incontinence REN, ARG1, RXFP1 NISCH 457/4885MAPT 2124/4885HTT 3930/4885

“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.