SCHEMBL6031397

SCHEMBL6031397

c1ccc(CCNCc2cscn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
GPR142 Q7Z601 1/20 0.46
BCHE P06276 3/20 0.45
MPO P05164 1/20 0.45
SIGMAR1 Q99720 5/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7992030 0.85 GPR142 (0.49) GAAMAPTGPR142BCHEHDAC1
SCHEMBL6027934 0.84 L3MBTL1 (0.50) MAPTEPHX2HDAC1KDM4E
SCHEMBL18157933 0.76 KDM4C (0.42) GAAMAPTSMN1; SMN2GPR142KDM4E
SCHEMBL10064622 0.75 GAA (0.64) GAAMAPTSMN1; SMN2EPHX2BCHE
SCHEMBL10863579 0.74 KDM4C (0.37) GAAMAPTGPR142KDM4E
SCHEMBL29937460 0.73 MAOA (0.55) GPR142
SCHEMBL27228 0.72 GAA (0.95) GAAMAPTBCHEMPOSIGMAR1
SCHEMBL15313384 0.72 CYP1A2 (0.64)
SCHEMBL10478067 0.71 EPHX2 (0.54) GAAMAPTSMN1; SMN2EPHX2BCHE
SCHEMBL13258500 0.71 GPR142 (0.58) GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A GAA 419/4885MAPT 4112/4885SMN1; SMN2 2362/4885

“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.