SCHEMBL10238036

SCHEMBL10238036

Cc1sc(-c2ccc(C#N)cc2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.42
▸ APP P05067 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD11B1 P28845 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
SCHEMBL10237919 0.86 RAB9A (0.38) APPGAAMAPTKDM4E
SCHEMBL10238126 0.85 HRH3 (0.35) HRH3APPKDM1A
SCHEMBL10237965 0.84 RARA (0.31) APPGAAMEN1MAPTKMT2A
SCHEMBL10237934 0.84 RAB9A (0.40) HRH3GAAMEN1MAPTKMT2A
SCHEMBL10238020 0.84 PTGS2 (0.41) APPMAPTKDM4E
SCHEMBL10237930 0.84 NPC1 (0.34) APPMAPT
SCHEMBL10238017 0.84 ALDH1A1 (0.41) HRH3GAAMEN1MAPTKMT2A
SCHEMBL10238083 0.83 KDM4E (0.32) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL10238063 0.82 EIF4E (0.35) MAPTTDP1KDM1AKDM4E
SCHEMBL10238085 0.82 BRD4 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC HRH3 1887/4885APP 4351/4885GAA 1293/4885

“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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