SCHEMBL442600

SCHEMBL442600

Oc1c[c]nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
GPR3 P46089 1/20 0.37
CYP1A2 P05177 2/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 5/20 0.32
KDM4E B2RXH2 5/20 0.32
ACHE P22303 2/20 0.32
MAOA P21397 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL9479290 0.74 CYP1A2 (0.38) GPR3CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL4461176 0.74 GPR3 (0.37) GPR3ALDH1A1MAPTRAB9AKMT2A
SCHEMBL411657 0.74 CYP1A2 (0.45) GPR3CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL1146962 0.74 NCF1 (0.47) GPR3CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL6179959 0.74 GPR3 (0.37) GPR3CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL1826639 0.74 MAOA (0.41) GPR3CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL659910 0.72 ACHE (0.40) CYP1A2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL5015215 0.72 ACHE (0.40) IDO1CYP1A2ALDH1A1MAPTRAB9A
SCHEMBL6448454 0.72 HSD17B10 (0.38) IDO1CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL16277665 0.72 KDM4E (0.49) ALDH1A1RAB9AKMT2AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 US claimed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 EP claimed
WO-2010037207-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2010-04-08 WO claimed
US-10808005-B2 Ligand for orphan nuclear receptor Nur77 and uses thereof IXMEDICINE (XIAMEN) BIOLOGICAL TECHNOLOGY COMPANY LIMITED (CN) 2020-10-20 US disclosed
US-20190330261-A1 LIGAND FOR ORPHAN NUCLEAR RECEPTOR NUR77 AND USES THEREOF XIAMEN UNIVERSITY (CN) 2019-10-31 US disclosed
EP-3480207-A1 ORPHAN NUCLEAR RECEPTOR NUR77 LIGAND AND APPLICATION THEREOF Xiamen University (CN) 2019-05-08 EP disclosed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 US disclosed
US-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
EP-2102189-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
EP-2099442-B1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS INC (US) 2014-11-19 EP disclosed
EP-0332008-A2 Peptide-like aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed
CN-1035286-A The amino acid derivative of renin-inhibiting HOECHST AG (DE) 1989-09-06 CN disclosed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0258183-A2 Process for the preparation of 5-amino-4-hydroxyvaleric-acid derivatives CIBA-GEIGY AG (CH) 1988-03-02 EP disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof ENGASE, OGA, GPI IDO1 711/4885MYC 681/4885MAX 4197/4885
US-10808005-B2 Ligand for orphan nuclear receptor Nur77 and uses thereof NR2E3, NR0B1, NR0B2 IDO1 4818/4885MYC 2469/4885MAX 4815/4885
US-20190330261-A1 LIGAND FOR ORPHAN NUCLEAR RECEPTOR NUR77 AND USES THEREOF NR2E3, NR0B1, NR0B2 IDO1 4818/4885MYC 2469/4885MAX 4815/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 IDO1 777/4885MYC 4333/4885MAX 4880/4885

“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.