SCHEMBL5539865

SCHEMBL5539865

Cc1ccc(-c2[c]cccn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
COMT P21964 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
ACHE P22303 1/20 0.36
SYK P43405 2/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL1202054 0.81 NOTUM (0.37) NISCHNPC1RAB9AALDH1A1KDM4E
SCHEMBL1973038 0.80 MAPK14 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1980545 0.80 ALDH1A1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL435455 0.80 CYP1A2 (0.38) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL11240403 0.79 MAPT (0.46) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL10562349 0.79 NPC1 (0.38) NISCHMEN1KMT2ANPC1RAB9A
SCHEMBL8081622 0.79 NISCH (0.38) NISCHNPC1RAB9AALDH1A1KDM4E
SCHEMBL1967426 0.79 CLK4 (0.56) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL5056973 0.79 ACHE (0.42) NISCHNPC1RAB9AACHEHPGD
SCHEMBL2397171 0.79 MAPT (0.42) NPC1RAB9AALDH1A1KDM4ETP53

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
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1133036-A 2-oximino-2-pyridyl acetic acid derivatives as anti-parasitic agents (fungicides) BAYER AG (DE) 1996-10-09 CN 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NISCH 2425/4885MEN1 3295/4885KMT2A 4267/4885

“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.