SCHEMBL6286504

SCHEMBL6286504

COc1ccc(-c2cccn2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
KDR P35968 2/20 0.48
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
NLRP3 Q96P20 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA4 P22748 1/20 0.43
PTGS2 P35354 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 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
SCHEMBL6282109 0.93 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6287434 0.87 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6283438 0.85 KMT2A (0.51) RAB9AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6282837 0.85 RAB9A (0.50) RAB9AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6287285 0.85 KMT2A (0.51) RAB9AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6285619 0.83 PTGS2 (0.48) ALDH1A1PTGS2
SCHEMBL347805 0.81 PCSK9 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5311642 0.81 PTGS2 (0.71) ALDH1A1PTGS2
SCHEMBL5312437 0.81 PTGS2 (0.71) ALDH1A1PTGS2
SCHEMBL5314069 0.79 PTGS2 (0.69) CA4PTGS2

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 RAB9A 3961/4885NPC1 4779/4885ALDH1A1 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.