Sugi Predict

Sugi Predict / Compounds / SCHEMBL13712975

SCHEMBL13712975

SCHEMBL13712975

CC(C)c1ccccc1-c1ccon1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ NPFFR1 Q9GZQ6 1/20 0.34
▸ NPFFR2 Q9Y5X5 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 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
SCHEMBL30318411 0.86 MDM2 (0.35) GABRA1GABRB2MDM2CYP1A2TRPV1
SCHEMBL20150114 0.80 NPC1 (0.40) CA1CA2GABRA1GABRB2CYP1A2
SCHEMBL4059082 0.80 MDM2 (0.41) MDM2CYP1A2NPC1RAB9AKDM4E
SCHEMBL11848230 0.75 MDM2 (0.30) MDM2
SCHEMBL29840757 0.75 NPC1 (0.45) MDM2CYP1A2LMNACYP3A4HPGD
SCHEMBL5542787 0.75 MDM2 (0.36) MDM2CYP1A2NPC1RAB9AKDM4E
SCHEMBL2122583 0.75 NPC1 (0.45) MDM2CYP1A2LMNACYP3A4HPGD
SCHEMBL3629047 0.72 GABRA1 (0.43) ATRCA1CA2CA12CA9
SCHEMBL167078 0.72 GABRA1 (0.55) CA1CA2CA12CA9GABRA1
SCHEMBL29414063 0.72 GABRA1 (0.55) CA1CA2CA12CA9GABRA1

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-111320715-B Ultrahigh molecular weight polyolefin catalyst, and preparation method and application thereof 叶平山 2022-10-04 — — CN claimed
CN-111320715-B Ultrahigh molecular weight polyolefin catalyst, and preparation method and application thereof 叶平山 2022-10-04 — — CN disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A ATR 4434/4885CA1 4627/4885CA2 4619/4885

“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.