SCHEMBL6847576

SCHEMBL6847576

CC(C)(C)N(CCC(=O)c1ccc(C#N)cc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ EGFR P00533 2/20 0.44
▸ SNCA P37840 2/20 0.44
▸ RORC P51449 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL13562529 0.84 LMNA (0.47) KMT2AMEN1NPC1EGFRHTT
SCHEMBL13517617 0.84 OPRM1 (0.52) KMT2AMEN1NPC1TAS2R14EGFR
SCHEMBL6847843 0.83 TMEM97 (0.46) KMT2AMEN1NPC1SIGMAR1TMEM97
SCHEMBL13517749 0.83 MAPT (0.51) KMT2AMEN1SIGMAR1TMEM97TAS2R14
SCHEMBL13562641 0.81 CYP1A2 (0.46) KMT2AMEN1NPC1EGFRHTT
SCHEMBL6847871 0.80 OPRK1 (0.56) KMT2AMEN1NPC1SIGMAR1TMEM97
SCHEMBL6847070 0.79 EGFR (0.48) KMT2AMEN1EGFRNSD2HTT
SCHEMBL14350189 0.76 KMT2A (0.51) KMT2AMEN1NPC1HTTL3MBTL1
SCHEMBL13562673 0.76 HSD11B1 (0.43) KMT2AMEN1NPC1EGFRHTT
SCHEMBL13562667 0.75 GAA (0.51) KMT2AMEN1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US claimed
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 KMT2A 2055/4885MEN1 1889/4885NPC1 4610/4885

“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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