SCHEMBL2015560

SCHEMBL2015560

CCOC(=O)c1cc2c(Br)c(OC)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 5/20 0.55
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 1/20 0.52
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50

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
SCHEMBL6595745 0.87 KDM4E (0.50) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL2015917 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL700701 0.85 HPGD (0.56) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL17429439 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL6594500 0.84 ALDH1A1 (0.55) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL4374748 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL22620608 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL16047779 0.82 RAB9A (0.45) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL3028151 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL14654012 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDRAB9ALMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105816453-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-03-05 CN disclosed
EP-2342205-B1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2016-04-20 EP disclosed
US-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. 2015-11-26 US disclosed
US-9108969-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8415484-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
EP-2342205-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals ,Inc. (US) 2011-06-30 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
WO-2010027431-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP 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 (4 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A KDM4E 3665/4885ALDH1A1 917/4885HPGD 1312/4885
US-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 KDM4E 4317/4885ALDH1A1 1413/4885HPGD 3500/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 KDM4E 4317/4885ALDH1A1 1413/4885HPGD 3500/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 KDM4E 4317/4885ALDH1A1 1413/4885HPGD 3500/4885

“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.