SCHEMBL6283390

SCHEMBL6283390

COc1ccc(-c2c(C)cc(C)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.46
ATM Q13315 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADAM17 P78536 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
OXTR P30559 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL6284342 0.83 OXTR (0.48) ALDH1A1LMNACA1CA2HTT
SCHEMBL6286162 0.82 MAPT (0.43) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL6282845 0.81 KMT2A (0.41) ALDH1A1LMNAATMCA1CA2
SCHEMBL6287216 0.78 HTT (0.50) ALDH1A1LMNACA1CA2HTT
SCHEMBL6285757 0.76 MAPT (0.51) ALDH1A1LMNACA1CA2HTT
SCHEMBL6279769 0.75 HTT (0.50) ALDH1A1LMNACA1CA2HTT
SCHEMBL28197899 0.73 HPGD (0.48) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL75730 0.72 ALDH1A1 (0.43) ALDH1A1LMNAATMCA1CA2
SCHEMBL930548 0.72 OXTR (0.74) ALDH1A1CA1CA2HTTSMN1; SMN2
SCHEMBL15602806 0.72 HTT (0.44) ALDH1A1LMNACA1CA2HTT

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 ALDH1A1 2470/4885LMNA 4447/4885ATM 1709/4885

“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.