Sugi Predict

Sugi Predict / Compounds / SCHEMBL92053

SCHEMBL92053

SCHEMBL92053

COc1cc(Cl)c(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CD44 P16070 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3754009 0.90 GLA (0.52) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL12706044 0.87 GAA (0.43) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL8233721 0.87 GLA (0.53) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL29587813 0.87 GLA (0.53) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL92052 0.85 GAA (0.52) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL12330214 0.81 TAAR1 (0.48) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL91989 0.80 GAA (0.58) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL1755249 0.80 NPC1 (0.58) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL92046 0.79 GAA (0.63) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL13696467 0.79 LMNA (0.44) KMT2AALDH1A1MEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 — — EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 — — US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 — — US disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 — — WO disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 — — WO disclosed
US-8962635-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 — — US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 — — US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 — — US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 — — US disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 — — EP disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 — — EP disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7276526-B2 Substituted thiazoles and oxazoles as corticotropin releasing hormone ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 — — WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 — — 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 (7 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 KMT2A 2009/4885ALDH1A1 1382/4885MEN1 1171/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF KMT2A 3435/4885ALDH1A1 1842/4885MEN1 852/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 KMT2A 3106/4885ALDH1A1 1802/4885MEN1 3630/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK KMT2A 2349/4885ALDH1A1 4795/4885MEN1 2902/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 KMT2A 3106/4885ALDH1A1 1802/4885MEN1 3630/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 KMT2A 1108/4885ALDH1A1 2329/4885MEN1 2006/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KMT2A 996/4885ALDH1A1 748/4885MEN1 549/4885

“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.