SCHEMBL5582872

SCHEMBL5582872

CC(=O)Nc1ccc2c(c1)C/C(=C\N(C)C)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAOA P21397 3/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
HSP90AA1 P07900 1/20 0.49
TLR9 Q9NR96 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
CES2 O00748 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.41

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
SCHEMBL5582874 1.00 KMT2A (0.54) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL5582666 0.88 NPC1 (0.56) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL30612402 0.88 NPC1 (0.56) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL30612407 0.88 NPC1 (0.56) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL5582663 0.86 BAZ2B (0.62) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL5582664 0.86 BAZ2B (0.62) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL5582600 0.83 NPC1 (0.53) KMT2AMEN1KDM4EMAOACYP1A2
SCHEMBL10751441 0.83 MAOA (0.55) KMT2AMEN1MAOACYP1A2ADRA2A
SCHEMBL10751436 0.83 MAOA (0.55) KMT2AMEN1MAOACYP1A2ADRA2A
SCHEMBL7703579 0.80 MAOA (0.62) KMT2AMEN1MAOACYP1A2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 KMT2A 1886/4885MEN1 380/4885KDM4E 2952/4885

“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.