SCHEMBL2490044

SCHEMBL2490044

O=C(Nc1ccccc1)C(=CSc1ccccc1)CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2490040 1.00 MAPT (0.39) MAPTHTTMEN1POLBMAPK1
SCHEMBL2490042 1.00 MAPT (0.39) MAPTHTTMEN1POLBMAPK1
SCHEMBL2487074 0.92 HDAC8 (0.40) MAPTHTTMEN1POLBMAPK1
SCHEMBL2487076 0.92 HDAC8 (0.40) MAPTHTTMEN1POLBMAPK1
SCHEMBL2487075 0.92 HDAC8 (0.40) MAPTHTTMEN1POLBMAPK1
SCHEMBL2811633 0.87 ALDH1A1 (0.49) MAPTHTTMEN1POLBMAPK1
SCHEMBL3046125 0.87 ALDH1A1 (0.49) MAPTHTTMEN1POLBMAPK1
SCHEMBL2811634 0.87 ALDH1A1 (0.49) MAPTHTTMEN1POLBMAPK1
SCHEMBL2811191 0.85 ALDH1A1 (0.47) MAPTHTTMEN1KMT2AHDAC3
SCHEMBL2811193 0.85 ALDH1A1 (0.47) MAPTHTTMEN1KMT2AHDAC3

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
EP-2380876-B1 1-HETERODIENE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT NIPPON SODA CO (JP) 2014-10-29 EP disclosed
US-8222430-B2 1-heterodiene derivative and harmful organism control agent NIPPON SODA CO., LTD. (JP) 2012-07-17 US disclosed
EP-2380876-A1 1-HETERODIENE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2011-10-26 EP disclosed
US-20110251388-A1 1-HETERODIENE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-10-13 US disclosed
WO-2010070910-A1 1-HETERODIENE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT 日本曹達株式会社 (JP) 2010-06-24 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-20110251388-A1 1-HETERODIENE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT INF2, H1-0, L3MBTL1 MAPT 4837/4885HTT 3045/4885MEN1 986/4885

“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.