SCHEMBL16587411

SCHEMBL16587411

COC(=O)c1ccc2nc(C)n(Cc3c(C)cccc3C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ ACSS2 Q9NR19 1/20 0.50
▸ LCK P06239 1/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ SLC22A12 Q96S37 3/20 0.42
▸ DCTPP1 Q9H773 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
SCHEMBL16587410 0.86 SLC22A12 (0.56) ACSS2HDAC1HDAC6HTTHDAC3
SCHEMBL11976859 0.85 ACSS2 (0.53) KDM4EACSS2LCKHTTLMNA
SCHEMBL6172756 0.78 PDE2A (0.53) KDM4EHDAC1HDAC6ALOX15SLC22A12
SCHEMBL28839348 0.77 KDM4E (0.54) KDM4EACSS2RAB9AMAPTLMNA
SCHEMBL30174466 0.77 KDM4E (0.54) KDM4EACSS2RAB9AMAPTLMNA
SCHEMBL29770353 0.77 KDM4E (0.54) KDM4EACSS2RAB9AMAPTLMNA
SCHEMBL28839349 0.77 KDM4E (0.54) KDM4EACSS2RAB9AMAPTLMNA
SCHEMBL6169575 0.77 RAB9A (0.57) KDM4EHDAC1HDAC6ALOX15HTT
SCHEMBL16587412 0.77 RAB9A (0.54) KDM4EHDAC1HDAC6SLC22A12NPC1
SCHEMBL11976860 0.77 KDM4E (0.54) KDM4EACSS2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 — — US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — 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-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 KDM4E 2113/4885ACSS2 1340/4885LCK 4478/4885

“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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