SCHEMBL6287216

SCHEMBL6287216

COc1ccc(-c2cc(C)c(C)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CHRNA7 P36544 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PTGS2 P35354 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADAM17 P78536 1/20 0.43

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
SCHEMBL6279866 0.83 MEN1 (0.46) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL6285757 0.80 MAPT (0.51) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6279769 0.79 HTT (0.50) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6517130 0.78 PTGS2 (0.64) CHRNA7PTGS2
SCHEMBL6283390 0.78 ALDH1A1 (0.47) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6287503 0.77 MAPT (0.54) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6279611 0.74 MAPT (0.55) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL11693118 0.73 LMNA (0.48) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL15694897 0.73 HPGD (0.52) HTTKMT2AALDH1A1MEN1LMNA
SCHEMBL17052682 0.73 HPGD (0.52) HTTKMT2AALDH1A1MEN1LMNA

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 HTT 4693/4885SMN1; SMN2 4638/4885MAPT 4800/4885

“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.