SCHEMBL13058552

SCHEMBL13058552

Cc1cnc(-c2ccc(Cl)cc2)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 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
SCHEMBL10238098 0.82 NPC1 (0.39) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL1160646 0.79 NPC1 (0.42) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL13058480 0.75 RAB9A (0.38) NPC1RAB9APPARAKDM4EMEN1
SCHEMBL18874255 0.75 L3MBTL1 (0.36) RAB9ATP53KDM4EALDH1A1KMT2A
SCHEMBL6727333 0.75 L3MBTL1 (0.36) RAB9ATP53KDM4EALDH1A1KMT2A
SCHEMBL607395 0.75 NPC1 (0.39) NPC1RAB9ARXFP1TP53KDM4E
SCHEMBL13058451 0.74 L3MBTL1 (0.33) RAB9ATP53KDM4ESMN1; SMN2L3MBTL1
SCHEMBL9287104 0.72 PDE1A (0.34) NPC1RAB9ARXFP1PPARDPPARA
SCHEMBL13058537 0.71 KDM4E (0.43) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL13077786 0.70 NPC1 (0.36) NPC1RAB9ARXFP1KDM4EMEN1

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-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 NPC1 4479/4885RAB9A 3091/4885RXFP1 877/4885

“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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