SCHEMBL7119736

SCHEMBL7119736

COC(=O)CN(C(=C(C#N)C#N)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 1/20 0.37
AKT1 P31749 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL6609664 0.79 ADRA2C (0.51) MLYCDTSHRALDH1A1GLAPOLB
SCHEMBL5353769 0.76 ALDH1A1 (0.51) MLYCDTSHRALDH1A1GLAPOLB
SCHEMBL8439016 0.76 ALDH1A1 (0.47) MLYCDTSHRALDH1A1GLAHSD17B10
SCHEMBL29873818 0.74 ALDH1A1 (0.46) MLYCDTSHRALDH1A1GLAPOLB
SCHEMBL28294373 0.74 ALDH1A1 (0.46) MLYCDTSHRALDH1A1GLAPOLB
SCHEMBL6901524 0.73 MLYCD (0.50) MLYCDTSHRALDH1A1GLASMN1; SMN2
SCHEMBL8858955 0.72 ALDH1A1 (0.57) MLYCDTSHRALDH1A1GLAPOLB
SCHEMBL10541028 0.72 MLYCD (0.49) MLYCDTSHRALDH1A1GLASMN1; SMN2
SCHEMBL20314798 0.71 GSTO1 (0.58) MLYCDTSHRALDH1A1GLASMN1; SMN2
SCHEMBL6295798 0.71 MLYCD (0.48) MLYCDTSHRALDH1A1GLASMN1; SMN2

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-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP MLYCD 2993/4885TSHR 3679/4885ALDH1A1 3164/4885

“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.