SCHEMBL4362332

SCHEMBL4362332

O=C(C=Cc1ccc(F)cc1)c1cc(O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.82
MAPT P10636 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
GUSB P08236 4/20 0.73
MAOB P27338 2/20 0.68
MAOA P21397 1/20 0.68
MEN1 O00255 2/20 0.68
HPGD P15428 2/20 0.68
ALOX15 P16050 2/20 0.68
MAPK1 P28482 2/20 0.68
KMT2A Q03164 2/20 0.68
HSD17B10 Q99714 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CTSL P07711 2/20 0.64
AR P10275 1/20 0.64
SLC5A1 P13866 1/20 0.63

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
SCHEMBL634059 0.90 CHRNA7 (1.00) CHRNA7MAPTNPSR1GUSBMAOB
SCHEMBL634060 0.90 CHRNA7 (1.00) CHRNA7MAPTNPSR1GUSBMAOB
SCHEMBL25195306 0.88 CYP3A4 (0.82) CHRNA7MAPTNPSR1MAOBMAOA
SCHEMBL23303982 0.88 CYP3A4 (0.82) CHRNA7MAPTNPSR1MAOBMAOA
SCHEMBL19603333 0.85 MAPT (1.00) CHRNA7MAPTNPSR1L3MBTL1MAOB
SCHEMBL10830261 0.85 AR (0.78) MAPTNPSR1L3MBTL1GUSBMAOB
SCHEMBL31619687 0.84 CHRNA7 (0.82) CHRNA7MAPTNPSR1GUSBMAOB
SCHEMBL5512150 0.84 CHRNA7 (0.81) CHRNA7MAPTNPSR1GUSBMAOB
SCHEMBL127853 0.84 GUSB (1.00) CHRNA7MAPTGUSBMAOBMAOA
SCHEMBL4969800 0.84 CHRNA7 (0.81) CHRNA7MAPTNPSR1GUSBMAOB

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-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CHRNA7 1325/4885MAPT 2223/4885NPSR1 945/4885

“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.