SCHEMBL6283438

SCHEMBL6283438

COc1ccc(-c2cccn2-c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.45
HTT P42858 6/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 2/20 0.44
PTGS2 P35354 4/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL6287285 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1RXFP1L3MBTL1
SCHEMBL6282109 0.92 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL6286287 0.87 PTGS2 (0.49) KMT2AMEN1ALDH1A1RXFP1L3MBTL1
SCHEMBL6287434 0.86 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6286504 0.85 RAB9A (0.50) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6282837 0.84 RAB9A (0.50) KMT2AMEN1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL6285619 0.82 PTGS2 (0.48) ALDH1A1PTGS2PTGS1NPSR1
SCHEMBL5312437 0.80 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL5311642 0.80 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL6287408 0.79 KMT2A (0.45) KMT2AMEN1ALDH1A1RXFP1HTT

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 KMT2A 629/4885MEN1 2361/4885ALDH1A1 2470/4885

“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.