SCHEMBL6163628

SCHEMBL6163628

O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.74
KMT2A Q03164 3/20 0.74
MEN1 O00255 1/20 0.74
KDM4E B2RXH2 1/20 0.65
CYP2C9 P11712 3/20 0.64
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ATM Q13315 1/20 0.63
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL10761683 0.99 POLB (0.73) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL6162317 0.85 POLB (0.74) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL6162031 0.85 POLB (1.00) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL10757593 0.83 CYP2C9 (0.83) POLBKMT2AMEN1CYP2C9RAB9A
SCHEMBL10761462 0.82 CYP2C9 (0.86) POLBKMT2AMEN1CYP2C9RAB9A
SCHEMBL26107773 0.82 SMN1; SMN2 (0.69) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL29788458 0.82 MEN1 (0.76) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL1900506 0.82 MEN1 (0.76) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL10761635 0.81 KDM4E (0.54) POLBKMT2AMEN1KDM4ECYP2C9
SCHEMBL6163311 0.81 POLB (0.65) POLBKMT2AMEN1CYP2C9ATM

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
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885KMT2A 968/4885MEN1 4655/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885KMT2A 968/4885MEN1 4655/4885

“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.