SCHEMBL2238527

SCHEMBL2238527

Cc1cccc2c1CCc1c(CO)ncn1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA5 P31644 6/20 0.36
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GRM5 P41594 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL2235539 0.83 NOTUM (0.38) NOTUMGABRG2GABRB3GABRA5GABRA1
SCHEMBL2234758 0.78 HCAR1 (0.36) NOTUMGABRG2GABRB3GABRA5CNR2
SCHEMBL2234469 0.77 SRD5A1 (0.40) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL2235135 0.76 NOTUM (0.39) NOTUMGABRG2GABRB3GABRA5GABRA1
SCHEMBL2232613 0.75 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2235317 0.72 NOTUM (0.38) NOTUMGABRG2GABRB3GABRA5GABRA1
SCHEMBL2238273 0.71 SMN1; SMN2 (0.39) NOTUMALDH1A1MEN1KMT2AHCAR1
SCHEMBL11050864 0.71 HCAR1 (0.46) ATP4AATP4BALDH1A1CYP1A2CYP2D6
SCHEMBL11051880 0.70 ALDH1A1 (0.47) GABRG2GABRB3GABRA5ATP4AATP4B
SCHEMBL29051025 0.69 PI4KA (0.42) ATP4AATP4BALDH1A1CYP1A2CYP2D6

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.