SCHEMBL6281996

SCHEMBL6281996

COc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
ALDH1A1 P00352 9/20 0.62
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
GAA P10253 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
RAB9A P51151 6/20 0.62
KDM4E B2RXH2 5/20 0.62
NPC1 O15118 5/20 0.62
HTT P42858 2/20 0.62
HPGD P15428 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PTGDR2 Q9Y5Y4 2/20 0.60
NFKB1 P19838 5/20 0.56
NFKB2 Q00653 5/20 0.56
RELA Q04206 5/20 0.56
ALOX5 P09917 2/20 0.56
MCL1 Q07820 1/20 0.56
LMNA P02545 3/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL205709 0.88 MAPT (0.78) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4057621 0.87 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6282486 0.84 MAPT (0.67) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10686112 0.81 MEN1 (0.68) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL18904197 0.81 MAPT (0.52) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL208098 0.81 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4059327 0.81 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6545476 0.80 MAPT (0.74) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6283182 0.80 MAPT (0.64) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL6278804 0.80 MAPT (0.62) MAPTALDH1A1MEN1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPT 2844/4885ALDH1A1 3345/4885MEN1 4508/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPT 2113/4885ALDH1A1 3292/4885MEN1 3920/4885

“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.