Sugi Predict

Sugi Predict / Compounds / SCHEMBL5146256

SCHEMBL5146256

SCHEMBL5146256

Oc1[c]c2ccccc2c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 5/20 0.37
▸ CYP2A6 P11509 3/20 0.37
▸ LMNA P02545 4/20 0.35
▸ MMP14 P50281 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ OPRK1 P41145 2/20 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
SCHEMBL3071001 0.78 CYP2A6 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL1416395 0.78 TRPM4 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7003885 0.75 CYP2A6 (0.37) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL5143519 0.75 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2A6LMNATSHR
SCHEMBL19732775 0.71 EP300 (0.43) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL5143350 0.71 GABRA1 (0.38) ALDH1A1KDM4ELMNAALOX15ESR2
SCHEMBL6632432 0.69 MPL (0.44) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL4574784 0.67 IDO1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL1616278 0.67 MAOA (0.44) ALDH1A1MAPTHSD17B10CYP1A2CYP2A6
SCHEMBL5889012 0.67 GABRA1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134983-A Organic light emitting device 株式会社LG化学 2023-05-16 — — CN disclosed
EP-1285914-B1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-12-19 — — EP disclosed
EP-1423370-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 — — EP disclosed
EP-1423113-A4 NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 — — EP disclosed
EP-1423111-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 — — EP disclosed
US-20070010562-A1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-01-11 — — US disclosed
US-7098336-B2 FXR NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-08-29 — — US disclosed
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles PHENEX PHARMACEUTICALS AG (DE) 2006-07-06 — — US disclosed
EP-1536799-B1 NOVEL 2-AMINO-4-OXOQUINAZOLONES AS LXR NUCLEAR RECEPTOR BINDING COMPOUNDS WITH PARTIAL AGONISTIC PROPERTIES PHENEX PHARMACEUTICALS AG (DE) 2006-05-10 — — EP disclosed
US-7034046-B2 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-04-25 — — US disclosed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 — — US disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 — — EP disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 — — US disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 — — US disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 — — EP disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES — 1998-05-22 — — WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 — — WO disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 — — 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 (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-20070010562-A1 Nr1h4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 ALDH1A1 2359/4885MEN1 3664/4885MAPT 3051/4885
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles NR0B1, NR0B2, NR4A3 ALDH1A1 1188/4885MEN1 3625/4885MAPT 3879/4885

“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.