SCHEMBL10060144

SCHEMBL10060144

N=C(CCl)NCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.67
MCHR1 Q99705 1/20 0.56
PADI4 Q9UM07 10/20 0.49
PADI2 Q9Y2J8 5/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PADI6 Q6TGC4 1/20 0.43

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
SCHEMBL10060574 0.92 HDAC1 (0.66) HDAC1MCHR1PADI4PADI2OPRM1
SCHEMBL10060140 0.84 MCHR1 (0.56) HDAC1MCHR1PADI4PADI2PADI6
SCHEMBL10060141 0.83 KDM1A (0.57) PADI4PADI2PADI6
SCHEMBL8112529 0.81 HDAC1 (0.64) HDAC1MCHR1MEN1KMT2AL3MBTL1
SCHEMBL10060235 0.80 KDM1A (0.59) PADI4PADI2L3MBTL1PADI6
SCHEMBL13928114 0.80 HDAC1 (1.00) HDAC1MCHR1MEN1KMT2AL3MBTL1
SCHEMBL8307553 0.80 HDAC1 (1.00) HDAC1MCHR1MEN1KMT2AL3MBTL1
SCHEMBL10060137 0.79 PADI4 (0.54) PADI4PADI2KMT2APADI6
SCHEMBL10060566 0.78 PADI6 (0.69) PADI4PADI2PADI6
SCHEMBL8128169 0.78 HDAC1 (0.65) HDAC1MCHR1PADI4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969333-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-03 US disclosed
US-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2014-09-25 US disclosed
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 US 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 (2 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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 HDAC1 602/4885MCHR1 4874/4885PADI4 1/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 HDAC1 602/4885MCHR1 4874/4885PADI4 1/4885

“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.