SCHEMBL840360

SCHEMBL840360

[CH2]CCc1ccc(NC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
MB P02144 1/20 0.53
CYP1A1 P04798 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
RARG P13631 1/20 0.53

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
SCHEMBL5541692 0.89 POLB (0.53) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL29622962 0.88 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL29622963 0.88 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL5541310 0.87 POLB (0.51) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL5535347 0.86 THRA (0.54) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL839533 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HTTL3MBTL1TSHRALDH1A1
SCHEMBL1902060 0.84 SMN1; SMN2 (0.59) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL11116153 0.84 SMN1; SMN2 (0.59) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL8681807 0.82 SMN1; SMN2 (0.57) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL7211903 0.82 AOC3 (0.61) AOC3SMN1; SMN2HTTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066150-C Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 2001-05-23 CN claimed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
CN-101040053-B Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES 2013-04-24 CN disclosed
CN-102994606-A Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES 2013-03-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101248184-B Process for production of optically active (S or R)-a-amino acid or optically active (S or R)-a -amino acid ester UBE INDUSTRIES 2013-01-16 CN disclosed
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed
US-7915019-B2 Processes for preparing optically active (S or R)-β-amino acid and optically active (R or S)-β-amino acid ester, and β-amino acid 2-alkoxyethyl ester and optically active (S or R)-β amino acid 2-alkoxyethyl ester UBE INDUSTRIES, LTD. (JP) 2011-03-29 US disclosed
CN-101040053-A Process for producing optically active (S or R) -beta-amino acid and optically active (R or S) -beta-amino acid ester, and beta-amino acid 2-alkoxyethyl ester and optically active (S or R) -beta-amino acid 2-alkoxyethyl ester UBE INDUSTRIES (JP) 2007-09-19 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
CN-1075067-C Furan and furan amide compound and producing process and pharmaceutical composition thereof ADIR (FR) 2001-11-21 CN disclosed
CN-1150151-A Furan and furan amide compound and producing process and pharmaceutical composition thereof ADIR (FR) 1997-05-21 CN 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 (2 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 AOC3 905/4885SMN1; SMN2 4168/4885HTT 487/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AOC3 259/4885SMN1; SMN2 3985/4885HTT 4644/4885

“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.