SCHEMBL2235772

SCHEMBL2235772

O=Cc1ncn2c1CCc1cc(F)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
NOTUM Q6P988 1/20 0.38
ROCK1 Q13464 1/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
HDAC6 Q9UBN7 2/20 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
SCHEMBL23037071 0.86 GABRG2 (0.38) IDH1NOTUMROCK1GABRG2GABRB3
SCHEMBL2237866 0.84 NOTUM (0.42) IDH1NOTUMGABRG2GABRB3GABRA5
SCHEMBL2234256 0.83 NOTUM (0.38) IDH1NOTUMGABRG2GABRB3GABRA5
SCHEMBL2236516 0.80 SRD5A1 (0.43) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL2235371 0.79 MAPT (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2235365 0.79 MAPT (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL23050248 0.78 IDH1 (0.42) IDH1NOTUMGABRG2GABRB3GABRA5
SCHEMBL2232987 0.75 ALDH1A1 (0.38) IDH1GABRG2GABRB3GABRA5HDAC6
SCHEMBL23037050 0.73 IDH1 (0.47) IDH1NOTUMROCK1GABRG2GABRB3
SCHEMBL23037049 0.73 IDH1 (0.47) IDH1NOTUMROCK1GABRG2GABRB3

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 IDH1 2972/4885NOTUM 547/4885ROCK1 799/4885

“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.