SCHEMBL10026484

SCHEMBL10026484

Cc1ccc2c(O)cc(OC(C)C)nc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 1/20 0.34
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL6876502 0.83 RXFP1 (0.37) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL12629381 0.81 MAPT (0.43) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL10026485 0.77 MAPT (0.41) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL6877766 0.77 MAPT (0.41) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL10330908 0.77 KMT2A (0.49) MAPTKMT2AMEN1SMN1; SMN2OPRK1
SCHEMBL6875131 0.76 MAPT (0.40) MAPTKMT2AMEN1
SCHEMBL10026482 0.75 MAPT (0.39) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL6877317 0.75 MAPT (0.39) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL6876080 0.73 KDM4E (0.42) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL10026483 0.73 MAPT (0.36) MAPT

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-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
WO-2011063501-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-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS CTSC, HCCS, CTSZ MAPT 4636/4885KMT2A 1666/4885MEN1 4367/4885

“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.