SCHEMBL2234596

SCHEMBL2234596

C/C=C/c1ccc2c(c1)CCc1c(CO)ncn1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
KDM4E B2RXH2 5/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL2234603 1.00 GABRG2 (0.34) GABRG2GABRB3GABRA5KDM4EMEN1
SCHEMBL2235317 0.81 NOTUM (0.38) GABRG2GABRB3GABRA5KDM4EMEN1
SCHEMBL2235371 0.79 MAPT (0.37) KDM4EMEN1KMT2ACYP3A4ATM
SCHEMBL2235365 0.79 MAPT (0.37) KDM4EMEN1KMT2ACYP3A4ATM
SCHEMBL2235093 0.77 GABRG2 (0.52) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL2235080 0.77 GABRG2 (0.52) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL2233887 0.73 ALDH1A1 (0.35) GABRG2GABRB3GABRA5ALDH1A1GABRA1
SCHEMBL2235144 0.71 HRH3 (0.48) SRD5A1
SCHEMBL2234061 0.69 HTR2A (0.32)
SCHEMBL2234256 0.60 NOTUM (0.38) GABRG2GABRB3GABRA5KDM4EMEN1

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 GABRG2 2731/4885GABRB3 1763/4885GABRA5 1685/4885

“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.