Sugi Predict

Sugi Predict / Compounds / SCHEMBL10272809

SCHEMBL10272809

SCHEMBL10272809

CCc1ccc(C(C)(C)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ LPL P06858 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
SCHEMBL1755679 0.83 KDM4E (0.43) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL30802846 0.83 KDM4E (0.43) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL12776127 0.82 ESR1 (0.45) PDE10APARP1PARP2ALDH1A1PDE4A
SCHEMBL130002 0.82 PDE10A (0.35) PDE10APTGS2PARP1PARP2ALDH1A1
SCHEMBL15986681 0.80 L3MBTL1 (0.41) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL16368521 0.80 KDM4E (0.41) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL12266677 0.80 KDM4E (0.41) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL12303328 0.80 KDM4E (0.41) PDE10AKDM4EL3MBTL1NPC1RAB9A
SCHEMBL1962677 0.78 L3MBTL1 (0.42) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL91511 0.78 TRPV4 (0.52) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2

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
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 — — CN disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 — — US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 — — US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 — — 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 (2 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK PDE10A 970/4885KDM4E 1767/4885L3MBTL1 4326/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 PDE10A 1496/4885KDM4E 1649/4885L3MBTL1 3253/4885

“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.