SCHEMBL10060143

SCHEMBL10060143

CCC(=N)NCCC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PADI6 Q6TGC4 2/20 0.62
▸ PADI4 Q9UM07 4/20 0.50
▸ KDM1A O60341 7/20 0.49
▸ TACR2 P21452 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ KDM1B Q8NB78 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ PADI2 Q9Y2J8 2/20 0.46
▸ CFD P00746 1/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL10060566 0.91 PADI6 (0.69) PADI6PADI4KDM1ATACR2MAOA
SCHEMBL10060142 0.91 KDM1A (0.58) PADI6PADI4KDM1AMAOAKDM1B
SCHEMBL10060141 0.82 KDM1A (0.57) PADI6PADI4KDM1AMAOAKDM1B
SCHEMBL10060235 0.82 KDM1A (0.59) PADI6PADI4KDM1AMAOAKDM1B
SCHEMBL3583969 0.80 PADI6 (0.64) PADI6EPHX2NR1H4CFD
SCHEMBL10061245 0.79 MCHR1 (0.55) PADI6PADI4PADI2PDE4APDE4B
SCHEMBL10060574 0.78 HDAC1 (0.66) PADI4PADI2
SCHEMBL10060139 0.78 HDAC4 (0.50) —
SCHEMBL12560110 0.77 PADI1 (0.56) PADI6PADI4PADI2PDE4APDE4B
SCHEMBL17531099 0.76 KDM1A (0.62) PADI6PADI4KDM1AMAOAKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 PADI6 5/4885PADI4 1/4885KDM1A 190/4885

“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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