SCHEMBL5582634

SCHEMBL5582634

CN(C)CCNC(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
POLB P06746 1/20 0.69
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 4/20 0.63
MAPT P10636 3/20 0.63
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
LMNA P02545 1/20 0.49
RORC P51449 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7915467 0.82 POLB (1.00) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL10531978 0.80 ALDH1A1 (0.52) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL1429330 0.79 HTT (0.66) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL18416955 0.78 MEN1 (0.71) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL4733997 0.78 KMT2A (1.00) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL27841700 0.77 MEN1 (0.74) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL5657581 0.77 MEN1 (0.70) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL5582701 0.76 EPHX2 (0.66) HTTPOLBKMT2AALDH1A1MAPT
SCHEMBL2510372 0.76 KMT2A (0.56) HTTPOLBKMT2AALDH1A1MEN1
SCHEMBL27914345 0.76 GAA (0.62) HTTPOLBKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US claimed
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 HTT 487/4885POLB 4114/4885KMT2A 1886/4885

“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.