Sugi Predict

Sugi Predict / Compounds / SCHEMBL879761

SCHEMBL879761

SCHEMBL879761

Bc1cccc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.58
▸ PIK3CD O00329 2/20 0.47
▸ RHEB Q15382 10/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ TRPA1 O75762 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ ASH1L Q9NR48 1/20 0.40
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL26495 0.78 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL9232128 0.78 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL29363007 0.78 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL20540332 0.77 PIK3CD (0.64) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL25177318 0.76 AHR (0.54) AHRPIK3CDRHEBMAPK1ADRB1
Hydrochloric Acid SCHEMBL8356509 0.76 AHR (0.54) AHRPIK3CDRHEBMAPK1ADRB1
Iodide SCHEMBL30373944 0.76 AHR (0.54) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL3335002 0.75 AHR (0.58) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL65514 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL113992 0.73 AHR (0.56) AHRPIK3CDRHEBMAPK1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533581-A PRC1 inhibitors and methods of treatment therewith 密歇根大学董事会 2021-03-19 — — CN disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 — — WO disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
EP-2467387-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS. KARUS THERAPEUTICS LTD (GB) 2015-01-07 — — EP disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 — — EP disclosed
EP-1903030-B1 Method for catalytic manufacture of aromatic or heteroaromatic nitriles SALTIGO GMBH (DE) 2014-06-04 — — EP disclosed
EP-1809614-B1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN INC (US) 2014-05-07 — — EP disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 — — US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 — — US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 — — US disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 — — US disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 — — US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 — — EP disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — 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 (6 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 AHR 3554/4885PIK3CD 3896/4885RHEB 1429/4885
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA AHR 3483/4885PIK3CD 2/4885RHEB 2344/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR AHR 3/4885PIK3CD 1784/4885RHEB 2245/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 AHR 428/4885PIK3CD 1578/4885RHEB 1463/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 AHR 428/4885PIK3CD 1578/4885RHEB 1463/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB AHR 3799/4885PIK3CD 1559/4885RHEB 1171/4885

“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.