SCHEMBL10060235

SCHEMBL10060235

N=C(CCl)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.59
▸ MAOA P21397 1/20 0.59
▸ PADI6 Q6TGC4 1/20 0.56
▸ PADI4 Q9UM07 6/20 0.55
▸ KDM1B Q8NB78 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PADI2 Q9Y2J8 3/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ CTSB P07858 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48

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
SCHEMBL10060141 0.95 KDM1A (0.57) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10060566 0.91 PADI6 (0.69) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10060142 0.91 KDM1A (0.58) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10060137 0.85 PADI4 (0.54) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10026327 0.82 PADI4 (0.72) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10060143 0.82 PADI6 (0.62) KDM1AMAOAPADI6PADI4KDM1B
SCHEMBL10060144 0.80 HDAC1 (0.67) PADI6PADI4L3MBTL1PADI2
SCHEMBL10060236 0.80 HDAC4 (0.51) PADI6PADI4PADI2
SCHEMBL3576509 0.79 ADAMTS5 (0.62) KDM1AMAOAL3MBTL1CTSBCTSS
SCHEMBL10060140 0.79 MCHR1 (0.56) PADI6PADI4PADI2

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 KDM1A 190/4885MAOA 1507/4885PADI6 5/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 KDM1A 190/4885MAOA 1507/4885PADI6 5/4885

“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.

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