SCHEMBL13849935

SCHEMBL13849935

C/C(=C/C(=O)C(F)(F)F)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ L3MBTL1 Q9Y468 7/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ HTT P42858 1/20 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
SCHEMBL13846441 0.85 TDP1 (0.59) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13846431 0.81 MAPT (0.62) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL27688958 0.79 TDP1 (0.62) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13846422 0.78 MAPT (0.52) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL15706719 0.76 TDP1 (0.49) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13849750 0.75 MAPT (0.49) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15504788 0.74 L3MBTL1 (0.61) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13850040 0.74 MAPT (0.61) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13850039 0.73 MAPT (0.49) TDP1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL4654049 0.73 TDP1 (0.72) TDP1MAPTALDH1A1L3MBTL1KMT2A

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 4 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
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 TDP1 3612/4885MAPT 450/4885ALDH1A1 2171/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 TDP1 3612/4885MAPT 450/4885ALDH1A1 2171/4885

“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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