Sugi Predict

Sugi Predict / Compounds / SCHEMBL1044867

SCHEMBL1044867

SCHEMBL1044867

[CH2]/C=C/C=C/C=C/CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL1044869 1.00 SIGMAR1 (0.39) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL30924793 0.85 SIGMAR1 (0.39) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL6200426 0.84 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL6200429 0.84 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL1046618 0.81 SIGMAR1 (0.39) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL1046616 0.81 SIGMAR1 (0.39) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL10889347 0.81 TOP1 (0.43) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL10889349 0.81 TOP1 (0.43) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL9704084 0.79 SIGMAR1 (0.41) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL8515713 0.79 TDP1 (0.45) SIGMAR1MAOAMAOBHTR2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 — — EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 — — US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 — — 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 (2 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SIGMAR1 238/4885MAOA 1786/4885MAOB 1633/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SIGMAR1 238/4885MAOA 1786/4885MAOB 1633/4885

“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.