SCHEMBL13846413

SCHEMBL13846413

C/C(=C/C(=O)c1ccccc1)Nc1ccccc1Sc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 3/20 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 0.88 MAPT (0.62) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL15504789 0.87 L3MBTL1 (0.51) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13846442 0.86 GAA (0.49) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13846416 0.82 MAPT (0.49) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13850040 0.81 MAPT (0.61) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL15504788 0.81 L3MBTL1 (0.61) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13846427 0.79 MAPT (0.56) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13846425 0.79 MAPT (0.48) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13850044 0.79 MAPT (0.46) MAPTTDP1RAB9ANPC1MAPK1
SCHEMBL13846426 0.78 MAPT (0.64) MAPTTDP1RAB9ANPC1MAPK1

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-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
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
EP-2039677-A1 ORGANIC COMPOUNDS CONTAINING HETEROATOMS AND THEIR USE IN ZIEGLER-NATTA CATALYST WITH SINGLE ACTIVATION CENTER SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-03-25 — — EP 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 450/4885TDP1 3612/4885RAB9A 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 450/4885TDP1 3612/4885RAB9A 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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