SCHEMBL1721680

SCHEMBL1721680

CS(=O)(=O)c1nccc(COc2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
FFAR1 O14842 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AR P10275 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL12042917 0.85 KCNH2 (0.53) NPC1RAB9AFFAR1MAPTKDM4E
SCHEMBL24744279 0.77 PARP1 (0.41) NPC1MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL30164534 0.76 AR (0.45) PTGS2MRGPRX4MAPTKDM4EALDH1A1
SCHEMBL24743937 0.76 AR (0.45) PTGS2MRGPRX4MAPTKDM4EALDH1A1
SCHEMBL4026707 0.75 PARP1 (0.46) NPC1MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL1722134 0.74 MRGPRX4 (0.46) MRGPRX4NPC1RAB9AFFAR1MAPT
SCHEMBL805467 0.73 PARP1 (0.50) PTGS2NPC1MAPTKDM4EALDH1A1
SCHEMBL29180447 0.72 PARP1 (0.40) NPC1MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL30740280 0.72 PARP1 (0.40) NPC1MAPTALDH1A1SMN1; SMN2PARP1
SCHEMBL30378274 0.72 AR (0.51) PTGS2PARP1AR

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 10 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
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 PTGS2 2831/4885MRGPRX4 207/4885NPC1 2759/4885

“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.