SCHEMBL3579445

SCHEMBL3579445

COc1ccc(-c2nc(CN)no2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MAPK1 P28482 1/20 0.65
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NR1H4 Q96RI1 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
S1PR1 P21453 1/20 0.58
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 1/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PKM P14618 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSP90AA1 P07900 1/20 0.51
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
TPH1 P17752 2/20 0.49

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
SCHEMBL92398 0.87 MAPT (0.65) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL1220361 0.85 MAPT (0.68) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL27646351 0.85 MAPT (0.63) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2092758 0.85 MAPT (0.63) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2842388 0.85 NOTUM (0.64) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL13514083 0.84 NPC1 (0.68) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL10130653 0.83 MAPT (0.60) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL13617514 0.83 MAPT (0.60) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL561970 0.79 MAPT (0.56) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL19810876 0.77 NOTUM (0.72) MAPTL3MBTL1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
EP-1879898-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124581-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS WYETH (US) 2006-11-23 WO disclosed
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH (US) 2006-11-16 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-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists FSHR, GNRHR, PRLHR MAPT 4851/4885L3MBTL1 4692/4885MAPK1 1931/4885

“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.