SCHEMBL17446240

SCHEMBL17446240

COc1ccc(Cn2c(-c3ccccc3)csc2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 8/20 0.46
HTT P42858 6/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 2/20 0.44
STAT3 P40763 1/20 0.44
POLB P06746 1/20 0.44
P2RX4 Q99571 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CNR2 P34972 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
SCHEMBL19104787 0.85 TP53 (0.46) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL17450497 0.83 MAPT (0.50) CYP11B1CYP11B2KDM4ESMN1; SMN2HTT
SCHEMBL17446214 0.80 CYP19A1 (0.46) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL17450527 0.79 ALDH1A1 (0.44) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL17450526 0.76 P2RX4 (0.47) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL17446097 0.76 LMNA (0.48) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL17445991 0.73 ALDH1A1 (0.48) CYP11B1CYP11B2KDM4ESMN1; SMN2HTT
SCHEMBL21943933 0.72 TP53 (0.44) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL19117075 0.72 NPC1 (0.42) CYP11B1CYP11B2KDM4ESMN1; SMN2MAPT
SCHEMBL19104754 0.71 KMT2A (0.46) KDM4ESMN1; SMN2HTTMAPTALDH1A1

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-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-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 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-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
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 US disclosed
WO-2016010611-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2016-01-21 WO disclosed
WO-2016010609-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE 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 (7 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-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 CYP11B1 105/4885CYP11B2 119/4885KDM4E 3973/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 CYP11B1 78/4885CYP11B2 106/4885KDM4E 4334/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 CYP11B1 105/4885CYP11B2 119/4885KDM4E 3973/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 CYP11B1 80/4885CYP11B2 109/4885KDM4E 4327/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 CYP11B1 80/4885CYP11B2 104/4885KDM4E 4351/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 CYP11B1 80/4885CYP11B2 104/4885KDM4E 4351/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP CYP11B1 929/4885CYP11B2 1005/4885KDM4E 2378/4885

“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.