SCHEMBL3608862

SCHEMBL3608862

CC(=O)ONC(=O)c1ccc(CN(Cc2nccs2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 7/20 0.37
HDAC6 Q9UBN7 7/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
AGER Q15109 1/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL3604257 0.83 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL3608439 0.80 HDAC6 (0.60) TRPM8RAB9AKMT2APOLBHDAC1
SCHEMBL8249108 0.76 HDAC1 (0.44) HDAC1HDAC6CYP3A4HDAC3HDAC7
SCHEMBL3602101 0.72 NPC1 (0.50) RAB9AMEN1KMT2APOLBL3MBTL1
SCHEMBL3608838 0.72 CYP2C9 (0.54) RAB9AMEN1KMT2APOLBL3MBTL1
SCHEMBL1855827 0.71 NAAA (0.47) RAB9AMEN1KMT2AHDAC1HDAC6
SCHEMBL18422756 0.71 RAB9A (0.46) TRPM8RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL6887455 0.70 PLK1 (0.59) RAB9AKMT2APOLBHDAC1NPC1
SCHEMBL3604540 0.70 HDAC6 (0.58) TRPM8RAB9AKMT2APOLBHDAC1
SCHEMBL5421552 0.69 TRPM8 (0.50) TRPM8RAB9AMEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 TRPM8 2770/4885RAB9A 601/4885HSD17B10 322/4885

“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.