SCHEMBL6285757

SCHEMBL6285757

COc1ccc(-c2ccc(C)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 7/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGS2 P35354 4/20 0.46
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADAM17 P78536 1/20 0.44

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
SCHEMBL6279769 0.98 HTT (0.50) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL6279269 0.88 PTGS2 (0.54) MAPTHTTKMT2AMEN1KDM4E
SCHEMBL6287503 0.84 MAPT (0.54) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL6287121 0.81 MEN1 (0.55) MAPTHTTKMT2AMEN1KDM4E
SCHEMBL6279611 0.81 MAPT (0.55) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL6279228 0.81 PTGS2 (0.64) MAPTHTTKMT2AMEN1KDM4E
SCHEMBL14478867 0.80 ALDH1A1 (0.64) MAPTHTTKMT2AMEN1KDM4E
SCHEMBL6287216 0.80 HTT (0.50) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL6279231 0.80 ALDH1A1 (0.42) MAPTHTTKMT2AMEN1KDM4E
SCHEMBL7210272 0.80 PTGS2 (0.74) MAPTKDM4EALDH1A1HPGDPTGS2

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-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM MAPT 4800/4885HTT 4693/4885SMN1; SMN2 4638/4885

“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.