SCHEMBL6847677

SCHEMBL6847677

Cc1ccc(C(=O)CCN(Cc2ccccc2)C(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC4 P56524 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR1A P08908 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6847793 0.86 GSK3B (0.43) NPC1L3MBTL1RAB9AKMT2AMEN1
SCHEMBL6847675 0.86 KMT2A (0.40) NPC1L3MBTL1RAB9AKMT2AMEN1
SCHEMBL13562711 0.86 ACKR3 (0.49) NPC1L3MBTL1RAB9ASMN1; SMN2KMT2A
SCHEMBL13562621 0.81 ALDH1A1 (0.51) NPC1L3MBTL1RAB9ASMN1; SMN2KMT2A
SCHEMBL6847657 0.81 ACKR3 (0.48) NPC1L3MBTL1RAB9AUSP2SMN1; SMN2
SCHEMBL6847616 0.80 OPRM1 (0.41) NPC1L3MBTL1RAB9AKMT2AMEN1
SCHEMBL6847245 0.80 ACKR3 (0.49) NPC1L3MBTL1RAB9AUSP2SMN1; SMN2
SCHEMBL6847958 0.79 ACKR3 (0.51) RAB9AHDAC4HDAC6HDAC3HDAC1
SCHEMBL13517617 0.77 OPRM1 (0.52) NPC1L3MBTL1RAB9ASMN1; SMN2KMT2A
SCHEMBL14350189 0.77 KMT2A (0.51) NPC1L3MBTL1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 WO 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 NPC1 4610/4885L3MBTL1 1521/4885RAB9A 2765/4885

“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.