SCHEMBL2236178

SCHEMBL2236178

N#CCc1ncn2c1CCc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
SRD5A1 P18405 1/20 0.38
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
CDK4 P11802 1/20 0.36
ALOX15 P16050 1/20 0.36
CCND1 P24385 1/20 0.36
GRM5 P41594 2/20 0.33
TRPM5 Q9NZQ8 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
SCHEMBL10293863 0.81 GABRG2 (0.50) SMN1; SMN2ALDH1A1SRD5A1GABRG2GABRB3
SCHEMBL2234469 0.81 SRD5A1 (0.40) SMN1; SMN2ALDH1A1GAASRD5A1GABRG2
SCHEMBL8223047 0.74 MAPT (0.45) SMN1; SMN2ALDH1A1GAASRD5A1MAPT
SCHEMBL2238273 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL23192606 0.72 SRD5A1 (0.50) SMN1; SMN2ALDH1A1SRD5A1GABRG2GABRB3
SCHEMBL8224589 0.72 PTPRA (0.40) SMN1; SMN2ALDH1A1GAASRD5A1LMNA
SCHEMBL10293868 0.71 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1GAASRD5A1LMNA
SCHEMBL10293869 0.71 HSD17B3 (0.39) SMN1; SMN2ALDH1A1GAASRD5A1LMNA
SCHEMBL12849617 0.69 SRD5A1 (0.34) SMN1; SMN2ALDH1A1SRD5A1MAPTNPC1
SCHEMBL2236516 0.69 SRD5A1 (0.43) SMN1; SMN2SRD5A1GABRG2GABRB3GABRA5

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 SMN1; SMN2 4075/4885ALDH1A1 4182/4885GAA 1535/4885

“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.