SCHEMBL2235539

SCHEMBL2235539

OCc1ncn2c1CCc1c(Cl)cccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
IDH1 O75874 1/20 0.35
DRD2 P14416 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD4 P21917 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA3 P34903 1/20 0.32
GRM5 P41594 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL2238527 0.83 NOTUM (0.38) NOTUMGABRG2GABRB3GABRA5HTR2C
SCHEMBL2234469 0.77 SRD5A1 (0.40) GABRG2GABRB3GABRA5HTR2AMEN1
SCHEMBL2237635 0.76 NOTUM (0.38) NOTUMGABRG2GABRB3GABRA5IDH1
SCHEMBL23050260 0.76 NOTUM (0.42) NOTUMGABRG2GABRB3GABRA5IDH1
SCHEMBL2237008 0.75 CPB2 (0.40)
SCHEMBL2234274 0.74 L3MBTL1 (0.38) GABRG2GABRB3GABRA5HTT
SCHEMBL23036974 0.73 IDH1 (0.46) NOTUMGABRG2GABRB3GABRA5IDH1
SCHEMBL23036977 0.73 IDH1 (0.46) NOTUMGABRG2GABRB3GABRA5IDH1
SCHEMBL2238273 0.71 SMN1; SMN2 (0.39) NOTUMHCAR1MEN1KMT2A
SCHEMBL10625644 0.71 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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 (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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NOTUM 547/4885GABRG2 2731/4885GABRB3 1763/4885

“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.