Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847756

SCHEMBL6847756

SCHEMBL6847756

O=C(CCN(CCO)Cc1ccccc1)c1ccc(I)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.43
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 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
SCHEMBL6847250 0.86 GSK3B (0.35) ALDH1A1LMNAMEN1KMT2A
SCHEMBL13562710 0.85 GSK3B (0.44) ACKR3HTTALDH1A1LMNAMEN1
SCHEMBL6848042 0.85 ACKR3 (0.50) ACKR3HTTALDH1A1LMNAMEN1
SCHEMBL13562680 0.79 ALDH1A1 (0.53) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL6847675 0.79 KMT2A (0.40) ACKR3HTTALDH1A1LMNAMEN1
SCHEMBL6847932 0.79 ACKR3 (0.48) ACKR3HTTALDH1A1MEN1KMT2A
SCHEMBL6847468 0.76 GSK3B (0.53) ACKR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL6847015 0.75 HDAC4 (0.43) ACKR3HTTALDH1A1LMNAMEN1
SCHEMBL79747 0.73 HTT (0.62) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL13562549 0.73 TMEM97 (0.46) HTTALDH1A1LMNAMEN1KMT2A

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 8 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-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 ACKR3 4329/4885HTT 720/4885ALDH1A1 2990/4885

“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.