SCHEMBL3019770

SCHEMBL3019770

O=C1OCCN1CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.49
LTA4H P09960 1/20 0.48
NAAA Q02083 4/20 0.46
FAAH O00519 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TEAD3 Q99594 1/20 0.43
PDK2 Q15119 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN9A Q15858 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
SCHEMBL9858241 0.85 NAAA (0.48) NAAAFAAHALDH1A1KMT2AMEN1
SCHEMBL16698725 0.81 PKM (0.53) PKMLTA4HGAAALDH1A1TEAD3
SCHEMBL2075307 0.80 PKM (0.53) PKMLTA4HGAAALDH1A1TEAD3
SCHEMBL31662392 0.80 NAAA (0.59) LTA4HNAAAFAAHALDH1A1PDK2
SCHEMBL28498829 0.80 NAAA (0.52) NAAAFAAHGAAALDH1A1KMT2A
SCHEMBL7361407 0.78 PKM (0.48) PKMLTA4HGAAALDH1A1TEAD3
SCHEMBL1446252 0.78 LTA4H (0.50) PKMLTA4HGAAALDH1A1TEAD3
SCHEMBL25035706 0.78 PKM (0.56) PKMLTA4HGAAALDH1A1TEAD3
SCHEMBL531434 0.76 GRM2 (0.52) LTA4HNAAAFAAHKMT2AMEN1
SCHEMBL8306719 0.75 NAAA (0.46) NAAAFAAHALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-7678810-B2 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-03-16 US disclosed
US-7678810-B2 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-03-16 US disclosed
US-7678810-B2 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-03-16 US disclosed
US-20070154428-A1 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20070154428-A1 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20070154428-A1 Thiazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
EP-1721905-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-15 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-20100216787-A1 THIAZOLE DERIVATIVE TGFBR1, TGFBR2, SMAD3 PKM 2056/4885LTA4H 1808/4885NAAA 3993/4885
US-20070154428-A1 Thiazole derivative TGFBR1, TGFBR2, SMAD3 PKM 2056/4885LTA4H 1808/4885NAAA 3993/4885

“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.