SCHEMBL6876502

SCHEMBL6876502

COc1ccc2c(O)cc(OC(C)C)nc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.34
EP300 Q09472 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
NR3C1 P04150 1/20 0.33
HSD17B1 P14061 1/20 0.33

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
SCHEMBL6876080 0.85 KDM4E (0.42) LMNAMAPTALOX15ALOX12PDE10A
SCHEMBL6875131 0.85 MAPT (0.40) LMNAMAPTALOX15ALOX12PDE10A
SCHEMBL10026484 0.83 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1023279 0.82 PDE4A (0.39) RXFP1LMNAMAPTCYP19A1CYP11B1
SCHEMBL13385158 0.76 MAPT (0.38) RXFP1LMNAMAPTCYP19A1CYP11B1
SCHEMBL6876026 0.76 MAPT (0.36) MAPTPDE10A
SCHEMBL6878521 0.76 MAPT (0.36) MAPTPDE10AMEN1KMT2AKDM4E
SCHEMBL12629381 0.76 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6876345 0.75 TSHR (0.38) MAPTPDE10AMEN1KMT2AKDM4E
SCHEMBL6877317 0.73 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 RXFP1 2300/4885LMNA 2039/4885MAPT 3921/4885

“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.