SCHEMBL10238096

SCHEMBL10238096

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL10237934 0.88 RAB9A (0.40) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10237919 0.87 RAB9A (0.38) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10238020 0.85 PTGS2 (0.41) NPSR1MAPTKDM4EHPGDPPARG
SCHEMBL10237965 0.85 RARA (0.31) MAPTKDM4EALDH1A1LMNA
SCHEMBL10237930 0.85 NPC1 (0.34) NPC1HTTNPSR1MAPT
SCHEMBL10238017 0.85 ALDH1A1 (0.41) NPC1NPSR1RAB9AMAPTL3MBTL1
SCHEMBL10237915 0.84 SLC6A3 (0.39) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL16215997 0.84 SLC6A3 (0.39) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL10238083 0.84 KDM4E (0.32) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL10237917 0.83 DHODH (0.35) NPC1HTTNPSR1RAB9AMAPT

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 6 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
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC NPC1 4773/4885HTT 373/4885NPSR1 2942/4885

“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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