SCHEMBL17446136

SCHEMBL17446136

Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH]c1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PGR P06401 3/20 0.48
ALDH1A1 P00352 3/20 0.46
APOBEC3G Q9HC16 2/20 0.46
GFER P55789 2/20 0.46
IDO1 P14902 1/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TYMP P19971 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL3174401 0.83 ALDH1A1 (0.46) NPC1RAB9AALDH1A1APOBEC3GGFER
SCHEMBL17446133 0.76 RAB9A (0.63) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17448694 0.75 NPC1 (0.61) NPC1RAB9AALOX12TDP1PGR
SCHEMBL2821098 0.73 NPC1 (0.93) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL17448693 0.72 NPC1 (0.58) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL6738366 0.71 TSHR (0.76) NPC1RAB9ATDP1PGRALDH1A1
SCHEMBL5269547 0.71 IDO1 (0.56) NPC1RAB9ATDP1PGRALDH1A1
SCHEMBL17446083 0.71 NPC1 (1.00) NPC1RAB9AALOX12TDP1ALDH1A1
SCHEMBL4616291 0.70 AMY1A (0.50) NPC1RAB9APGRALDH1A1GAA
SCHEMBL6797629 0.70 GAA (0.56) NPC1RAB9APGRALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (6 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-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.