SCHEMBL1825236

SCHEMBL1825236

COc1ccc(OC)c(CCc2ccc(NC(C)=O)c(C(=O)O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.52
MTNR1A P48039 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.50
PLK1 P53350 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
MAPT P10636 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1826678 0.91 MTNR1B (0.52) MTNR1BMTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL7802403 0.91 ALDH1A1 (0.50) MTNR1BMTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL7802198 0.88 HSD17B10 (0.49) MTNR1BMTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL7804798 0.87 MTNR1A (0.48) MTNR1BMTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL1827316 0.84 MAPT (0.53) MTNR1BMTNR1AKDM4EALDH1A1HSD17B10
SCHEMBL6382370 0.83 MAPT (0.58) MTNR1BMTNR1AALDH1A1MAPTHSD17B1
SCHEMBL8951604 0.82 LCK (0.56) MTNR1BMTNR1AHSD17B10
SCHEMBL7804155 0.81 HSD17B10 (0.51) MTNR1BMTNR1AALDH1A1HSD17B10MAPT
SCHEMBL11374252 0.80 MAPT (0.62) KDM4EALDH1A1HSD17B10PLK1PLK3
SCHEMBL6377507 0.78 MTNR1A (0.59) MTNR1BMTNR1AALDH1A1HSD17B10HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461205-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20120283326-A1 ANTHRANILIC ACID DERIVATIVES CHELSEA THERAPEUTICS, INC. 2012-11-08 US disclosed
US-8263658-B2 Anthranilic acid derivatives CHELSEA THERAPEUTICS, INC. (US) 2012-09-11 US disclosed
EP-2118051-B1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS INC (US) 2011-05-04 EP disclosed
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES Chelsea Therapeutics, Inc 2010-02-04 US disclosed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
EP-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 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 (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-20120283326-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 MTNR1B 2588/4885MTNR1A 1988/4885KDM4E 4207/4885
US-20100029767-A1 ANTHRANILIC ACID DERIVATIVES ACOX3, BCL3, AOC3 MTNR1B 2602/4885MTNR1A 2006/4885KDM4E 4172/4885
US-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 MTNR1B 1361/4885MTNR1A 2327/4885KDM4E 2898/4885

“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.