Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847675

SCHEMBL6847675

SCHEMBL6847675

CC(C)(C)N(CCC(=O)c1ccc(I)s1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC4 P56524 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ RIPK1 Q13546 2/20 0.35
▸ HSD17B2 P37059 1/20 0.34
▸ ACKR3 P25106 3/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6847677 0.86 NPC1 (0.42) KMT2AMEN1HTTL3MBTL1HDAC4
SCHEMBL13562711 0.85 ACKR3 (0.49) KMT2AMEN1HTTL3MBTL1HDAC4
SCHEMBL6847793 0.85 GSK3B (0.43) KMT2AMEN1HTTL3MBTL1HDAC4
SCHEMBL6847932 0.80 ACKR3 (0.48) KMT2AMEN1HTTOPRM1OPRK1
SCHEMBL13562621 0.80 ALDH1A1 (0.51) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL6847756 0.79 ACKR3 (0.43) KMT2AMEN1HTTHDAC4HDAC6
SCHEMBL6847958 0.78 ACKR3 (0.51) HDAC4HDAC6HDAC3HDAC1OPRM1
SCHEMBL6847616 0.77 OPRM1 (0.41) KMT2AMEN1HTTL3MBTL1HDAC4
SCHEMBL14350189 0.76 KMT2A (0.51) KMT2AMEN1HTTL3MBTL1HDAC4
SCHEMBL13562455 0.74 ALDH1A1 (0.47) KMT2AMEN1HTTL3MBTL1NPC1

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 7 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
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 1889/4885HTT 720/4885

“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.