SCHEMBL6400044

SCHEMBL6400044

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2C(=O)Nc1ccc(SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LSS P48449 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL6404222 0.91 MAPT (0.54) MAPTLSSKMT2AMEN1TP53
SCHEMBL5639831 0.91 MEN1 (0.47) MAPTLSSKMT2AMEN1TP53
SCHEMBL5639827 0.91 MEN1 (0.47) MAPTLSSKMT2AMEN1TP53
SCHEMBL6399950 0.90 LSS (0.54) MAPTLSSKMT2AMEN1HTR2A
SCHEMBL6398665 0.90 MAPT (0.44) MAPTLSSKMT2AMEN1HTR2C
SCHEMBL6429144 0.89 FLT1 (0.48) MAPTLSSKMT2AMEN1TP53
SCHEMBL6398639 0.89 FLT1 (0.48) MAPTLSSKMT2AMEN1TP53
SCHEMBL6405881 0.86 TP53 (0.45) MAPTLSSKMT2AMEN1TP53
SCHEMBL6400172 0.85 LSS (0.39) MAPTLSSKMT2AMEN1HTR2A
SCHEMBL5637194 0.83 LSS (0.49) MAPTLSSKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MAPT 2748/4885LSS 65/4885KMT2A 2410/4885

“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.