SCHEMBL1722191

SCHEMBL1722191

O=c1cc(CSc2ccc(Cl)cc2)nc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HSP90AA1 P07900 1/20 0.52
AGTR1 P30556 1/20 0.52
OPRK1 P41145 1/20 0.52
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DAO P14920 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL31750732 0.70 RAB9A (0.43) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL2443235 0.69 SOD1 (1.00) SOD1TSHRKMT2AMEN1HSP90AA1
SCHEMBL225015 0.69 SMN1; SMN2 (0.64) SOD1TSHRKMT2AMEN1TDP1
SCHEMBL4053934 0.67 HSD11B1 (0.53) TSHRKMT2AMEN1GAAMAPT
SCHEMBL1722366 0.67 SOD1 (0.53) SOD1TSHRKMT2AMEN1HSP90AA1
SCHEMBL11163593 0.66 NPC1 (0.58) KMT2AMEN1HSP90AA1AGTR1OPRK1
SCHEMBL1724299 0.66 MAOA (0.56) SOD1KMT2AMEN1LMNATDP1
SCHEMBL14426636 0.66 SOD1 (0.69) SOD1KMT2AMEN1HSP90AA1AGTR1
SCHEMBL503382 0.65
Hydrochloric Acid SCHEMBL11174365 0.65 NPC1 (0.57) KMT2AMEN1HSP90AA1AGTR1OPRK1

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 SOD1 3449/4885TSHR 53/4885KMT2A 1331/4885

“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.