SCHEMBL1476028

SCHEMBL1476028

C#Cc1ncccc1NC(=O)OCC.c1cc2cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
BRD4 O60885 1/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NLRP3 Q96P20 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTPN1 P18031 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1479193 0.83 METAP1 (0.47) LMNA
SCHEMBL1477200 0.82 MEN1 (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL29450013 0.80 NLRP3 (0.55) ALDH1A1BRD4HPGDCYP1A2CYP2C9
SCHEMBL834846 0.79 TSHR (0.46) ALDH1A1BRD4HPGDSMN1; SMN2MEN1
SCHEMBL9951830 0.79 BRD4 (0.51) ALDH1A1BRD4HPGDCYP1A2CYP2C9
SCHEMBL1680617 0.77 BRD4 (0.49) ALDH1A1BRD4HPGDCYP1A2CYP2C9
SCHEMBL15880388 0.74 SHMT2 (0.42) ALDH1A1BRD4SMN1; SMN2RECQLMEN1
SCHEMBL9850789 0.74 ALDH1A1 (0.54) ALDH1A1BRD4HPGDCYP1A2CYP2C9
SCHEMBL1011405 0.73 KMT2A (0.63) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7215869 0.72 ALDH1A1 (0.52) ALDH1A1BRD4HPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 ALDH1A1 3485/4885BRD4 299/4885HPGD 1503/4885

“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.