SCHEMBL2487241

SCHEMBL2487241

CC(C)c1ccc([NH])c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2B P41595 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL8781825 0.87 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL30876294 0.87 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL29350027 0.80 GABRA1 (0.42) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL4657600 0.76 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL30381967 0.76 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL7833173 0.76 CYP1A2 (0.62) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL7833168 0.76 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL20799525 0.76 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL10019192 0.74 CYP1A2 (0.59) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL2487242 0.74 IDO1 (0.52) GABRA1GABRB2GABRG2GABRB3FAAH

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
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

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 GABRA1 4336/4885GABRB2 4498/4885GABRG2 4486/4885

“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.