SCHEMBL2074112

SCHEMBL2074112

O=[N+]([O-])c1ccc2c(c1)ncn2CCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 1/20 0.51
HTR7 P34969 1/20 0.49
BRD4 O60885 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 1/20 0.47
LTA4H P09960 2/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
BCHE P06276 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL520932 0.90 PKM (0.60) PKMALDH1A1MEN1LMNACYP2D6
SCHEMBL19911363 0.88 PKM (0.57) PKMALDH1A1MEN1LMNACYP2D6
SCHEMBL22449401 0.84 PKM (0.57) PKMALDH1A1MEN1LMNACYP2D6
SCHEMBL9570463 0.82 PKM (0.70) PKMALDH1A1LMNAKMT2ABRD4
SCHEMBL7034458 0.81 PKM (0.68) PKMALDH1A1LMNAKMT2ABRD4
SCHEMBL19911366 0.81 PKM (0.68) PKMALDH1A1KMT2AHDAC1BRD4
SCHEMBL26758096 0.81 L3MBTL1 (0.58) PKMALDH1A1MEN1LMNACYP2D6
SCHEMBL30656794 0.81 L3MBTL1 (0.58) PKMALDH1A1MEN1LMNACYP2D6
SCHEMBL9039302 0.80 PKM (0.67) PKMALDH1A1LMNAKMT2ABRD4
SCHEMBL520334 0.80 PKM (0.48) PKMALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 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 (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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PKM 745/4885ALDH1A1 668/4885MEN1 660/4885

“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.