SCHEMBL4138173

SCHEMBL4138173

O=Cc1cccn1Cc1cccnc1NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.43
PPIA P62937 1/20 0.39
SCD O00767 3/20 0.38
KCNA5 P22460 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.37
MGLL Q99685 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL29956983 0.77 POLB (0.53) ALDH1A1POLBPPIARAB9ANPC1
SCHEMBL29952615 0.74 POLB (0.56) ALDH1A1POLBPPIARAB9ANPC1
SCHEMBL18640773 0.68 POLB (0.65) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL18001993 0.68 MAPK14 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5891015 0.68 ALDH1A1 (0.38) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL1244152 0.67 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14398672 0.67 ALDH1A1 (0.57) ALDH1A1LMNA
SCHEMBL23608334 0.66 POLB (0.51) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL8970761 0.66 POLB (0.55) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL31307412 0.66 POLB (0.51) ALDH1A1POLBRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US disclosed
EP-1381608-B1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH CORP (US) 2007-10-10 EP disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US disclosed
US-7053083-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-05-30 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
EP-1381608-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS Wyeth (US) 2004-01-21 EP disclosed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders WYETH (US) 2002-12-26 US disclosed
WO-2002083685-A1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 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 (6 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-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 ALDH1A1 1977/4885POLB 4494/4885PPIA 4755/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 ALDH1A1 1977/4885POLB 4494/4885PPIA 4755/4885
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders F2, AVPR2, SHBG ALDH1A1 1408/4885POLB 4023/4885PPIA 320/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B ALDH1A1 2998/4885POLB 4188/4885PPIA 898/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A ALDH1A1 1159/4885POLB 4340/4885PPIA 4788/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 ALDH1A1 1977/4885POLB 4494/4885PPIA 4755/4885

“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.