SCHEMBL17446141

SCHEMBL17446141

O=C1OCC(O)(c2ccccc2)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
MDM2 Q00987 3/20 0.43
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
PKM P14618 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
PRTN3 P24158 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL4309714 0.77 ELANE (0.42) GSK3AGSK3BOPRL1ALDH1A1POLB
SCHEMBL4329563 0.75 CHRM2 (0.36) GSK3AGSK3BMDM2OPRL1PKM
SCHEMBL4309775 0.73 SMN1; SMN2 (0.37) MDM2OPRL1ELANECTSGPRTN3
SCHEMBL8475159 0.73 TSHR (0.36) GSK3AGSK3BOPRL1ALDH1A1POLB
SCHEMBL17446080 0.70 GSK3A (0.82) GSK3AGSK3BOPRL1POLBPKM
SCHEMBL21335483 0.70 GSK3A (0.58) GSK3AGSK3BMDM2OPRL1ALDH1A1
SCHEMBL17450498 0.67 GSK3A (0.72) GSK3AGSK3BOPRL1POLBPKM
SCHEMBL4912142 0.67 MDM2 (0.84) MDM2ALDH1A1RAF1BRAF
SCHEMBL4912136 0.67 MDM2 (0.84) MDM2ALDH1A1RAF1BRAF
SCHEMBL4319672 0.66 OPRM1 (0.37) MDM2OPRL1POLBELANECTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
WO-2016010609-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2016-01-21 WO disclosed
WO-2016010610-A2 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2016-01-21 WO disclosed
WO-2016010611-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2016-01-21 WO 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 (5 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-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 GSK3A 1263/4885GSK3B 725/4885MDM2 1579/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 GSK3A 1251/4885GSK3B 724/4885MDM2 1566/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 GSK3A 1332/4885GSK3B 799/4885MDM2 1372/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 GSK3A 1332/4885GSK3B 799/4885MDM2 1372/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885MDM2 2062/4885

“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.