SCHEMBL1477041

SCHEMBL1477041

C#Cc1ncccc1C(=O)OC.c1cc2cc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MAP2K1 Q02750 1/20 0.43
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NR4A2 P43354 2/20 0.40
PLCG1 P19174 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
GRM5 P41594 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
ALOX5AP P20292 1/20 0.39
DHODH Q02127 1/20 0.39
CNR2 P34972 1/20 0.39
GAA P10253 1/20 0.39

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
Hydrochloric Acid SCHEMBL1477231 0.99 TDP1 (0.44) TDP1MAP2K1KDM4EPKML3MBTL1
SCHEMBL834846 0.85 TSHR (0.46) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1477415 0.84 PLCG1 (0.37) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL1477295 0.84 RORB (0.38) TDP1KDM4EL3MBTL1ALDH1A1PLCG1
SCHEMBL835282 0.82 KDM4E (0.47) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL1476510 0.82 TRPM8 (0.37) PKMPLCG1MEN1KMT2APOLB
SCHEMBL1479640 0.81 PARP1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1476864 0.80 PARP1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1476697 0.80 MEN1 (0.41) MEN1KMT2APOLBSLC40A1CNR2
SCHEMBL2747145 0.79 LMNA (0.44) TDP1KDM4EALDH1A1NR4A2MEN1

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 TDP1 4595/4885MAP2K1 3478/4885KDM4E 2626/4885

“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.