SCHEMBL6633322

SCHEMBL6633322

[CH2]C(=O)N(CCC#N)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.63
USP2 O75604 1/20 0.63
MLYCD O95822 1/20 0.57
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2C P18825 1/20 0.41

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
SCHEMBL11422402 0.86 HSD17B10 (0.67) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL6633325 0.83 HSD17B10 (0.63) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL11140198 0.83 HSD17B10 (0.63) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL17438744 0.83 HSD17B10 (0.63) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL17438747 0.82 HSD17B10 (0.58) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL2814874 0.81 HSD17B10 (0.57) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL23818000 0.80 ALDH1A1 (0.72) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL10272675 0.80 HSD17B10 (0.60) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL7092901 0.80 HSD17B10 (0.60) HSD17B10USP2MLYCDALDH1A1MEN1
SCHEMBL11879274 0.79 HSD17B10 (0.58) HSD17B10USP2MLYCDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL HSD17B10 1713/4885USP2 4751/4885MLYCD 2825/4885

“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.