Sugi Predict

Sugi Predict / Compounds / SCHEMBL17446255

SCHEMBL17446255

SCHEMBL17446255

C=CCn1c(-c2ccccc2)c[nH]c1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 1.00
▸ HPGD P15428 7/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ HTT P42858 1/20 1.00
▸ KMT2A Q03164 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ APOBEC3G Q9HC16 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
SCHEMBL19130180 0.79 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL17446219 0.78 ALDH1A1 (0.82) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL17446076 0.75 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL19130596 0.74 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL7691668 0.72 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL17445981 0.72 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL17446082 0.72 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL17446081 0.70 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL11034218 0.70 L3MBTL1 (0.66) ALDH1A1HPGDKDM4EHSD17B10HTT
SCHEMBL2821098 0.69 NPC1 (0.93) ALDH1A1HPGDKDM4EHSD17B10HTT

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 14 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-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
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — US disclosed
WO-2016010610-A2 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING 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
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 (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 ALDH1A1 300/4885HPGD 388/4885KDM4E 3973/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 ALDH1A1 2384/4885HPGD 2926/4885KDM4E 4334/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 ALDH1A1 300/4885HPGD 388/4885KDM4E 3973/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 ALDH1A1 2382/4885HPGD 2921/4885KDM4E 4327/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 ALDH1A1 2381/4885HPGD 2799/4885KDM4E 4351/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 ALDH1A1 2381/4885HPGD 2799/4885KDM4E 4351/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP ALDH1A1 4476/4885HPGD 3262/4885KDM4E 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.