SCHEMBL3549192

SCHEMBL3549192

CC(C)(C)OC(=O)Nc1ccc2c(c1Cl)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ATR Q13535 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
EDNRA P25101 2/20 0.37
ACVRL1 P37023 2/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7846620 0.83 NPC1 (0.41) NPC1RAB9AKDM4EHPGDEDNRA
SCHEMBL3275997 0.82 ACVRL1 (0.48) NPC1RAB9AKDM4EHPGDATR
SCHEMBL4487068 0.81 KDM4E (0.49) NPC1RAB9AKDM4EHPGDACVRL1
SCHEMBL3539889 0.79 NPC1 (0.43) NPC1RAB9ACASP3SENP7EDNRA
SCHEMBL31739761 0.77 SIRT2 (0.35) ATR
SCHEMBL26148249 0.77 CA12 (0.40) NPC1RAB9AKDM4EHPGDCYP1A2
SCHEMBL4481762 0.76 NPC1 (0.41) NPC1RAB9AKDM4EHPGDATR
SCHEMBL4487659 0.76 AOC3 (0.42) NPC1RAB9AKDM4EHPGDATR
SCHEMBL24819174 0.76 AAK1 (0.37) NPC1RAB9AKDM4EHPGDATR
SCHEMBL30882154 0.76 AAK1 (0.37) NPC1RAB9AKDM4EHPGDATR

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 NPC1 2768/4885RAB9A 1836/4885KDM4E 1734/4885

“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.