SCHEMBL17448693

SCHEMBL17448693

COc1cccc(-c2c[nH]c(=S)n2C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALOX12 P18054 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
BRD4 O60885 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
TYMP P19971 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GAA P10253 1/20 0.41
NR1I2 O75469 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL17446078 0.81 ALOX12 (0.65) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17448694 0.78 NPC1 (0.61) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17446135 0.77 NPC1 (0.55) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL2821098 0.77 NPC1 (0.93) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17450578 0.75 NPC1 (0.66) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL19104745 0.75 NPC1 (0.53) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17450572 0.75 MPO (0.51) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17450566 0.75 MPO (0.46) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17446136 0.72 NPC1 (0.54) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL11429575 0.70 BRD4 (0.52) ALDH1A1LMNAPKMKDM4EBRD4

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 13 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-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 NPC1 74/4885RAB9A 2970/4885ALOX12 330/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 NPC1 633/4885RAB9A 2968/4885ALOX12 3607/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 NPC1 74/4885RAB9A 2970/4885ALOX12 330/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 NPC1 650/4885RAB9A 2983/4885ALOX12 3596/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 NPC1 644/4885RAB9A 3095/4885ALOX12 3510/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 NPC1 644/4885RAB9A 3095/4885ALOX12 3510/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP NPC1 634/4885RAB9A 2018/4885ALOX12 4104/4885

“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.