Sugi Predict

Sugi Predict / Compounds / SCHEMBL67450

SCHEMBL67450

SCHEMBL67450

c1ccc([PH](c2ccccc2)(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ EPHX2 P34913 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 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
SCHEMBL16549190 0.98 GAA (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL4554122 0.81 NPC1 (0.34) HPGDGAARAB9AKDM4EEPHX1
SCHEMBL2445014 0.81 IDO1 (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL19407778 0.81 IDO1 (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL1500528 0.81 IDO1 (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL23563764 0.81 IDO1 (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL3674285 0.81 IDO1 (0.34) IDO1SLC18A3HPGDGAAALDH1A1
SCHEMBL1517304 0.80 ALDH1A1 (0.38) HPGDGAAALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL27574177 0.79 IDO1 (0.36) IDO1SLC18A3HPGDGAAALDH1A1
Bromide SCHEMBL5723432 0.79 IDO1 (0.33) IDO1SLC18A3HPGDGAAALDH1A1

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311348-A2 Novel macromers containing a polyether moiety, process of preparing them and polymers thereof Nippon Oil Co., Ltd. (JP) 1989-04-12 — — EP claimed
CN-110248929-B Benzyl amino pyrazinyl cyclopropanecarboxylic acid, pharmaceutical composition and use thereof 勃林格殷格翰国际有限公司 2023-05-12 — — CN disclosed
CN-110256489-B Preparation method of alkyl phosphonyl 苏州大学 2022-03-08 — — CN disclosed
CN-110229187-B Method for preparing alkyl phosphonyl compound from peroxide 苏州大学 2021-12-10 — — CN disclosed
CN-110483670-B Metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2021-11-30 — — CN disclosed
EP-3573959-B1 BENZYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-28 — — EP disclosed
EP-3573952-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-14 — — EP disclosed
EP-3573965-B1 INDANYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-06-23 — — EP disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 — — CN disclosed
EP-3580222-B1 INDANYLAMINOAZADIHYDROBENZOFURANYLACETIC ACIDS, PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-04-07 — — EP disclosed
EP-1526852-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 — — EP disclosed
EP-1435932-A2 INHIBITORS OF RNASE P PROTEINS AS ANTIBACTERIAL COMPOUNDS Message Pharmaceuticals, Inc. (US) 2004-07-14 — — EP disclosed
WO-2004014374-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-02-19 — — WO disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 — — WO disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 — — EP disclosed
US-20030134904-A1 Inhibitors of RNase P proteins as antibacterial compounds S.R. ONE, LIMITED 2003-07-17 — — US disclosed
WO-2003024407-A2 INHIBITORS OF RNASE P PROTEINS AS ANTIBACTERIAL COMPOUNDS MESSAGE PHARMACEUTICALS, INC. (US) 2003-03-27 — — WO disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 — — US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 — — WO disclosed
US-4804739-A Process for preparing carbon monoxide polymer with quaternary phosphonium compound bidentate ligand SHELL OIL COMPANY (US) 1989-02-14 — — 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-20030134904-A1 Inhibitors of RNase P proteins as antibacterial compounds RNASEH1, RNASEL, SNRPA IDO1 2387/4885SLC18A3 4881/4885HPGD 4076/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 IDO1 259/4885SLC18A3 122/4885HPGD 620/4885

“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.