SCHEMBL3187900

SCHEMBL3187900

CCCc1c(N2CCCC2)coc1C(=O)N=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KCNQ2 O43526 1/20 0.30

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
SCHEMBL3187881 0.78 KDM4E (0.31) MAPTRAB9AALDH1A1HPGDMEN1
SCHEMBL3187893 0.65 LMNA (0.39) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL6193697 0.60 KCNQ2 (0.35) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL27438597 0.55 MAPK1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21593838 0.55 NCF1 (0.50) NPC1MEN1KMT2AKCNQ2
SCHEMBL19170717 0.53 ALDH1A1 (0.49) MAPTRAB9AALDH1A1HPGDNPC1
Methylamine SCHEMBL6478870 0.53 NCF1 (0.56) MAPTALDH1A1NPC1NPSR1TSHR
SCHEMBL1398476 0.52 GAA (0.63) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL11665416 0.52 NPC1 (0.59) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL20020277 0.52 RAB9A (0.54) MAPTRAB9AALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 — — US disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 — — US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 — — US disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 — — US 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK MAPT 3561/4885RAB9A 3056/4885ALDH1A1 554/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK MAPT 3561/4885RAB9A 3056/4885ALDH1A1 554/4885

“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.

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