SCHEMBL1725399

SCHEMBL1725399

CC(C)(C)OC(=O)n1ncc(CSc2ccc(Cl)cc2)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PAK1 Q13153 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
LMNA P02545 5/20 0.38
HPGD P15428 3/20 0.38

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
SCHEMBL1726537 0.82 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL1726559 0.77 ELANE (0.42) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL12042963 0.76 ELANE (0.41) MAPTALDH1A1KDM4EROCK2CHEK2
SCHEMBL12042951 0.74 NR1H2 (0.40) MAPTALDH1A1KDM4EROCK2ROCK1
SCHEMBL1724276 0.69 ELANE (0.44) MAPTALDH1A1KDM4EROCK2CHEK2
SCHEMBL25702554 0.68 MAOB (0.42) ROCK2ROCK1LMNAMCHR1KDM1A
SCHEMBL1721849 0.68 MCHR1 (0.66) MCHR1
SCHEMBL12043563 0.67 MCHR1 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL12042954 0.67 ELANE (0.42) MAPTALDH1A1KDM4EROCK2CHEK2
SCHEMBL1726152 0.66 ELANE (0.44) MAPTALDH1A1KDM4EROCK2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406233-B1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-11-13 EP disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
EP-2406233-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-01-18 EP disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 WO disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 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-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 1331/4885MEN1 939/4885MAPT 2912/4885

“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.