SCHEMBL3825249

SCHEMBL3825249

NC(=O)c1sc(-c2ccc3c(c2)CCO3)nc1Nc1cc(F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.43
CHEK1 O14757 5/20 0.42
BTK Q06187 4/20 0.41
FABP3 P05413 3/20 0.40
FABP4 P15090 3/20 0.40
FABP5 Q01469 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13674672 0.93 PLA2G10 (0.48) PLA2G10CHEK1BTKFABP3FABP4
SCHEMBL4489488 0.88 FABP4 (0.51) PLA2G10CHEK1FABP3FABP4FABP5
SCHEMBL3828856 0.80 FABP4 (0.56) PLA2G10CHEK1FABP3FABP4FABP5
SCHEMBL3830680 0.77 CYP1A2 (0.52) BTKRAB9ANPC1MAPTKDM4E
SCHEMBL4481685 0.75 NPC1 (0.55) CHEK1BTKFABP3FABP4FABP5
SCHEMBL13675570 0.71 FABP4 (0.47) PLA2G10CHEK1FABP3FABP4FABP5
SCHEMBL4501952 0.68 CYP1A2 (0.52) BTKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1328083 0.68 PLA2G10 (0.60) PLA2G10CHEK1RAB9ANPC1MAPT
SCHEMBL976455 0.66 CDC7 (0.57) PLA2G10CHEK1RAB9ANPC1MAPT
SCHEMBL13617382 0.65 PLA2G10 (0.81) PLA2G10CHEK1RAB9ANPC1MAPT

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-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US claimed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
EP-1718297-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP disclosed
EP-1718297-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005070042-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 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-20090270456-A1 Novel chemical compounds HIPK3, HIPK2, HIPK1 PLA2G10 3521/4885CHEK1 177/4885BTK 1603/4885

“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.