SCHEMBL12797332

SCHEMBL12797332

Clc1ccc(COc2ccc(-c3cn4ccccc4n3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.71
▸ RAB9A P51151 11/20 0.71
▸ ALDH1A1 P00352 6/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ PKM P14618 3/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KDM4E B2RXH2 8/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ EPHX2 P34913 1/20 0.59
▸ HRH3 Q9Y5N1 2/20 0.56
▸ GFER P55789 1/20 0.54
▸ HPGD P15428 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ POLB P06746 1/20 0.52

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
SCHEMBL12797273 0.90 RAB9A (0.71) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL12797329 0.88 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL12848768 0.88 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL1430162 0.84 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL25790029 0.83 RAB9A (0.97) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL12797427 0.82 RAB9A (0.58) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL12797255 0.82 HRH3 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL6527793 0.81 RAB9A (0.68) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL12848502 0.80 RAB9A (0.58) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL5412145 0.80 RAB9A (0.76) NPC1RAB9AALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 — — US disclosed
US-8895599-B2 Lipoprotein lipase-activating compositions comprising benzene derivates OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2014-11-25 — — US disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 — — US disclosed
US-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2013-11-07 — — US disclosed
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-03-17 — — US disclosed
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-03-17 — — US 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-20130296342-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATES LPL, LIPC, LIPE NPC1 366/4885RAB9A 3933/4885ALDH1A1 332/4885
US-20110065728-A1 LIPOPROTEIN LIPASE-ACTIVATING COMPOSITIONS COMPRISING BENZENE DERIVATIVES LPL, LIPC, LIPE NPC1 334/4885RAB9A 3849/4885ALDH1A1 419/4885

“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.

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