SCHEMBL4138571

SCHEMBL4138571

COC(=O)c1cccnc1Cn1cccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP2K1 Q02750 1/20 0.39
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5891015 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL28432330 0.74 ALDH1A1 (0.51) ALDH1A1GAALMNAMAPK10MEN1
SCHEMBL6017355 0.74 TDP1 (0.54) ALDH1A1KDM4ETDP1PKML3MBTL1
SCHEMBL30798461 0.72 TDP1 (0.53) ALDH1A1SMN1; SMN2KDM4ETDP1PKM
SCHEMBL4074618 0.72 TDP1 (0.53) ALDH1A1SMN1; SMN2KDM4ETDP1PKM
SCHEMBL4556786 0.72 TDP1 (0.53) ALDH1A1KDM4ETDP1PKML3MBTL1
SCHEMBL29361610 0.72 TDP1 (0.53) ALDH1A1KDM4ETDP1PKML3MBTL1
SCHEMBL16790454 0.71 TDP1 (0.51) ALDH1A1KDM4ETDP1PKML3MBTL1
SCHEMBL22912507 0.71 TDP1 (0.51) ALDH1A1SMN1; SMN2KDM4ETDP1PKM
SCHEMBL29363643 0.71 TDP1 (0.51) ALDH1A1SMN1; SMN2KDM4ETDP1PKM

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 32 patents — showing the first 20. 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-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
CN-1273469-C Tricyclic diazepines as tocolytic oxytocin receptor antagonists WYETH CORP (US) 2006-09-06 CN disclosed
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 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-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS 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
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS 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 (8 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 1977/4885SMN1; SMN2 2652/4885GAA 4814/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 ALDH1A1 1977/4885SMN1; SMN2 2652/4885GAA 4814/4885
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 ALDH1A1 3354/4885SMN1; SMN2 2129/4885GAA 4863/4885
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 1408/4885SMN1; SMN2 2572/4885GAA 2390/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B ALDH1A1 2998/4885SMN1; SMN2 2442/4885GAA 3799/4885
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 ALDH1A1 3035/4885SMN1; SMN2 2035/4885GAA 4840/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A ALDH1A1 1159/4885SMN1; SMN2 2184/4885GAA 4806/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 ALDH1A1 2795/4885SMN1; SMN2 2389/4885GAA 4814/4885

“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.