SCHEMBL21160781

SCHEMBL21160781

Cc1ccc2c(c1)/C(=C\O)CCN2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ CYP19A1 P11511 4/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROS1 P08922 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
SCHEMBL14302646 0.75 PARP10 (0.38) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL19978083 0.74 PARP10 (0.46) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL5546719 0.74 ALDH1A1 (0.58) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL24312365 0.70 PARP10 (0.40) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL23484221 0.70 PARP10 (0.40) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL10122765 0.69 PARP10 (0.39) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL18944161 0.69 PARP10 (0.39) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL13950047 0.69 PARP10 (0.39) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL12461 0.69 DRD2 (0.59) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL14255904 0.68 ALDH1A1 (0.47) PARP10PARP1PARP11ALDH1A1MAPT

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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 — — 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI PARP10 1653/4885PARP1 2675/4885PARP11 1550/4885

“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.

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