SCHEMBL2875453

SCHEMBL2875453

CNCC(C)(CCc1ccccc1)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 2/20 0.45
SSTR4 P31391 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 4/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL567236 0.84 NPC1 (0.47) NPC1RAB9AMAPTSSTR4POLB
SCHEMBL19991835 0.73 KMT2A (0.44) RAB9AMAPTATMHDAC3HDAC1
SCHEMBL19991836 0.73 KMT2A (0.44) RAB9AMAPTATMHDAC3HDAC1
SCHEMBL4297214 0.72 KDM4E (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4297210 0.72 KDM4E (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4596217 0.72 NPC1 (0.45) NPC1RAB9AMAPTSSTR4POLB
SCHEMBL4798158 0.71 HDAC3 (0.48) NPC1RAB9AMAPTSSTR4POLB
SCHEMBL18109691 0.71 EPHX2 (0.43) MAPTPOLBHDAC3HDAC1HDAC2
SCHEMBL4025551 0.70 CYP3A4 (0.49) NPC1RAB9AMAPTTAAR1ALDH1A1
SCHEMBL16162058 0.70 CYP3A4 (0.49) NPC1RAB9AMAPTTAAR1ALDH1A1

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
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO NPC1 973/4885RAB9A 1127/4885MAPT 3452/4885

“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.