SCHEMBL13846426

SCHEMBL13846426

COc1ccc(Sc2ccccc2N/C(C)=C\C(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MAPK1 P28482 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP12 P39900 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ GAA P10253 4/20 0.45
▸ THRB P10828 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ NFKB1 P19838 2/20 0.44

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
SCHEMBL13846431 0.89 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13850040 0.87 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL15504788 0.87 L3MBTL1 (0.61) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13850039 0.83 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13846422 0.83 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13846427 0.80 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13846410 0.80 RAB9A (0.68) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL15504789 0.79 L3MBTL1 (0.51) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13846413 0.78 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12692456 0.78 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 — — 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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885NPC1 1139/4885RAB9A 4804/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885NPC1 1139/4885RAB9A 4804/4885

“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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