Sugi Predict

Sugi Predict / Compounds / SCHEMBL566966

SCHEMBL566966

SCHEMBL566966

Cc1c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc2cc(CN[C@H]3CC[C@](C)(O)CC3)cnc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL16495551 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL566965 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL566967 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL566744 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL566745 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL566746 1.00 MCHR1 (0.54) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL565831 0.93 SMN1; SMN2 (0.59) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL567716 0.93 SMN1; SMN2 (0.59) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL565715 0.93 SMN1; SMN2 (0.59) MCHR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL10216275 0.93 SMN1; SMN2 (0.59) MCHR1SMN1; SMN2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 — — US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 — — US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 — — US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 — — US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 — — US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 — — US disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 — — EP disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 — — EP disclosed
WO-2010087454-A1 QUINOLINE DERIVATIVE 武田薬品工業株式会社 (JP) 2010-08-05 — — 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 (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-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 MCHR1 2/4885SMN1; SMN2 3674/4885RAB9A 578/4885

“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.