SCHEMBL8270282

SCHEMBL8270282

CNc1ccccc1-c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ACHE P22303 3/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
EGFR P00533 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL995326 0.78 LTA4H (0.55) LTA4HRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21087778 0.77 MAPT (0.42) LTA4HRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7812474 0.77 LTA4H (0.41) LTA4HRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15400049 0.76 FABP3 (0.49) LTA4HADRA1DADRA1AADRA1BALDH1A1
Hydrogen Sulfide SCHEMBL752785 0.75 LTA4H (0.53) LTA4HRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8927888 0.75 MAPT (0.52) ACHERAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4325551 0.74 HCRTR1 (0.48) LTA4HADRA1DADRA1AADRA1BRAB9A
SCHEMBL3626478 0.72 RAB9A (0.61) LTA4HRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29882784 0.72 LTA4H (1.00) LTA4HADRA1DADRA1AADRA1BRAB9A
SCHEMBL21067981 0.72 LTA4H (1.00) LTA4HADRA1DADRA1AADRA1BRAB9A

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-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
US-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 US disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 US disclosed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 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 (1 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-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents AVPR2, AVPR1A, AVPR1B LTA4H 1187/4885ADRA1D 48/4885ADRA1A 64/4885

“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.