SCHEMBL5891015

SCHEMBL5891015

O=Cc1cccn1Cc1ncccc1C(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ADRA1D P25100 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 2/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
RAB9A P51151 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4138571 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1244152 0.72 ALDH1A1 (0.55) ALDH1A1ADRA1DSMN1; SMN2KDM4EHTT
SCHEMBL14398672 0.69 ALDH1A1 (0.57) ALDH1A1ADRA1DMEN1KMT2AKDM4E
SCHEMBL4138173 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBRAB9ALMNA
SCHEMBL25342233 0.67 HDAC3 (0.49) ALDH1A1KDM4EMAPTLMNA
SCHEMBL7371695 0.67 NAPRT (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8564375 0.65 KMT2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25753482 0.65 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHTTDRD2
SCHEMBL18002172 0.65 HDAC8 (0.54) ALDH1A1SMN1; SMN2HTTDRD2DRD4
SCHEMBL7129795 0.65 MEN1 (0.62) ALDH1A1MEN1KMT2AUSP2TP53

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
CN-1307178-C Novel tricyclic pyridyl benzazepine * carboxamides and derivatives thereof useful as tocolytic oxytocin receptor antagonists HEWITT CORP (US) 2007-03-28 CN disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
CN-1531537-A Novel tricyclic pyridyl benzazepine * carboxamides and derivatives thereof useful as tocolytic oxytocin receptor antagonists 2004-09-22 CN disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS 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

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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 ALDH1A1 3035/4885ADRA1D 1315/4885MEN1 4882/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 ALDH1A1 2795/4885ADRA1D 1427/4885MEN1 4884/4885

“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.