SCHEMBL5283405

SCHEMBL5283405

[CH2]Cc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
METAP2 P50579 1/20 0.47
BCAT2 O15382 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NPC1 O15118 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CYP3A4 P08684 2/20 0.39
PARP1 P09874 2/20 0.39

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
SCHEMBL27632909 0.83 ALDH1A1 (0.47) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL7134588 0.82 TSHR (0.54) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL4735612 0.82 ALDH1A1 (0.54) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL405123 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL1756158 0.80 FOLH1 (0.59) KDM4EMAPTALDH1A1TSHRHPGD
SCHEMBL5252886 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL162322 0.80 MAPT (0.52) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL619877 0.80 ALDH1A1 (0.52) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL6555382 0.80 MAPT (0.52) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL7460853 0.79 KDM4E (0.42) KDM4EMAPTALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001939-A1 TETRAHYDRO-PYRANOPYRAZOLE COMPOUNDS DISPLAYING CANNABINOID MODULATING ACTIVITIES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO claimed
US-5399748-A Derivatives of aspartic acid and glutamic acid having anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1995-03-21 US claimed
EP-0552158-B1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1994-10-12 EP claimed
EP-0552158-A1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1993-07-28 EP claimed
WO-1992000958-A1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1992-01-23 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 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
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO 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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5847125-A Amino acid derivatives with anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-08 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
US-5399748-A Derivatives of aspartic acid and glutamic acid having anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1995-03-21 US disclosed
EP-0552158-B1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1994-10-12 EP disclosed
EP-0552158-A1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1993-07-28 EP disclosed
WO-1992000958-A1 DERIVATIVES OF ASPARTIC ACID AND GLUTAMIC ACID HAVING ANTI-CHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1992-01-23 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KDM4E 4854/4885MAPT 4117/4885ALDH1A1 355/4885

“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.