SCHEMBL2090211

SCHEMBL2090211

CCCNc1cccc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.62
MTNR1A P48039 3/20 0.62
ICMT O60725 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12520413 0.91 MTNR1B (0.60) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL7745902 0.90 MTNR1B (0.52) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL7505384 0.89 MTNR1B (0.59) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL11114174 0.89 MTNR1A (0.66) MTNR1BMTNR1AICMTMEN1KMT2A
Hydrochloric Acid SCHEMBL7505379 0.88 MTNR1B (0.57) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL11641239 0.88 MTNR1B (0.57) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL5604615 0.88 MTNR1B (0.57) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL7785497 0.88 MTNR1B (0.51) MTNR1BMTNR1AICMTMEN1KMT2A
SCHEMBL42399 0.85 MTNR1B (0.57) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL38660132 0.85 MTNR1B (0.57) MTNR1BMTNR1AMEN1KMT2AMAPT

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
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed
WO-2021132245-A1 METHOD FOR ASSISTING DIAGNOSIS OF METASTATIC CASTRATION-RESISTANT PROSTATE CANCER 富士フイルム和光純薬株式会社 2021-07-01 WO disclosed
CN-107080747-A Glucosylceramide synthase inhibitor 建新公司 2017-08-22 CN disclosed
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-04-07 US disclosed
EP-2997020-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-03-23 EP disclosed
WO-2014184343-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2014-11-20 WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1420008-B1 Composition, in particular cosmetic, comprising a secondary or tertiary amine OREAL (FR) 2006-12-20 EP disclosed
EP-1704161-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS Endorecherche, Inc. (CA) 2006-09-27 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US disclosed
WO-2005066194-A1 HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS ENDORECHERCHE, INC. (CA) 2005-07-21 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1420008-A1 Composition, in particular cosmetic, comprising a secondary or tertiary amine L'OREAL (FR) 2004-05-19 EP disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 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 (3 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-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 MTNR1B 907/4885MTNR1A 788/4885ICMT 4765/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 MTNR1B 707/4885MTNR1A 802/4885ICMT 3305/4885
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF CA3, CA2, CA1 MTNR1B 2929/4885MTNR1A 2400/4885ICMT 882/4885

“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.