Sugi Predict

Sugi Predict / Compounds / SCHEMBL1643576

SCHEMBL1643576

SCHEMBL1643576

CC(=O)c1cc(C)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KCNJ1 P48048 2/20 0.37
▸ P4HA1 P13674 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35

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
SCHEMBL30024345 1.00 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL30937642 0.83 ASPH (0.44) ALDH1A1SMN1; SMN2KCNJ1ABL1KDM4E
SCHEMBL20934640 0.83 NPC1 (0.39) ALDH1A1SMN1; SMN2KCNJ1GABRPGABRD
SCHEMBL29978511 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KCNJ1GABRPGABRD
SCHEMBL24759810 0.83 GABRP (0.39) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL24759811 0.83 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL13859136 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KCNJ1GABRPGABRD
SCHEMBL21599036 0.83 ASPH (0.40) ALDH1A1SMN1; SMN2KCNJ1KDM4ECYP1A2
SCHEMBL29963091 0.83 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL29963226 0.83 GABRP (0.39) NOS3NOS1NOS2ALDH1A1SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795157-B2 Tetrahydroindazoles and medical uses thereof GENASE THERAPEUTICS B.V. (NL) 2023-10-24 — — US disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 — — EP disclosed
US-10513514-B2 Piperidine compounds as PCSK9 inhibitors SHENZHEN SALUBRIS PHARM CO LTD. (CN) 2019-12-24 — — US disclosed
US-10098885-B2 Hydroxyl purine compounds and applications thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-10-16 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 — — EP disclosed
WO-2012156400-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-11-22 — — WO disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 — — US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 — — EP disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 — — EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 — — US disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 — — US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 — — CN disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 — — EP disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 — — EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 — — 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 (5 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A NOS3 257/4885NOS1 184/4885NOS2 108/4885
US-10513514-B2 Piperidine compounds as PCSK9 inhibitors PCSK9, TGFB1, PCSK7 NOS3 3528/4885NOS1 2826/4885NOS2 3566/4885
US-11795157-B2 Tetrahydroindazoles and medical uses thereof CYP11B2, CYP11B1, CYP3A43 NOS3 373/4885NOS1 292/4885NOS2 238/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A NOS3 257/4885NOS1 184/4885NOS2 108/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 NOS3 940/4885NOS1 1456/4885NOS2 1231/4885

“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.