SCHEMBL7940867

SCHEMBL7940867

COc1cccc(-c2oc(C)nc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 6/20 0.49
HPGD P15428 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
NOTUM Q6P988 2/20 0.46

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
SCHEMBL7948111 0.82 DYRK1A (0.44) DYRK1A
SCHEMBL9949083 0.81 RXRA (0.46) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL1387273 0.80 MAPK14 (0.65) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL1167406 0.80 PIN1 (0.57) SMN1; SMN2HPGDKDM4EALDH1A1TDP1
SCHEMBL7948113 0.80 RAB9A (0.47) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL15189753 0.78 RXRA (0.49) SMN1; SMN2TP53HPGDKDM4EALDH1A1
SCHEMBL5546758 0.77 ALDH1A1 (0.48) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL5543913 0.77 TRPM8 (0.43) SMN1; SMN2TP53KDM4EL3MBTL1KMT2A
SCHEMBL1969979 0.76 TARBP2 (0.50) SMN1; SMN2TP53HPGDKDM4EALDH1A1
SCHEMBL342242 0.75 MAPK13 (0.58) SMN1; SMN2HPGDNPC1RAB9AKDM4E

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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR SMN1; SMN2 3479/4885TP53 4857/4885HPGD 2597/4885

“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.