Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847731

SCHEMBL6847731

SCHEMBL6847731

O=C(CCN1CCCCC1)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ POLB P06746 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ GSK3B P49841 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44

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
SCHEMBL13519369 0.87 GSK3B (0.50) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL6847854 0.87 MEN1 (0.51) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL7443771 0.82 KMT2A (0.56) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL13519368 0.81 GSK3B (0.44) KMT2AMEN1POLBHPGDALDH1A1
Hydrochloric Acid SCHEMBL5365921 0.80 KMT2A (0.52) KMT2AMEN1POLBALDH1A1GSK3B
SCHEMBL6847165 0.80 KMT2A (0.45) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL15988673 0.78 GSK3B (0.73) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL6847500 0.77 HTR1A (0.44) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL14578112 0.77 ALDH1A1 (0.53) ALDH1A1
SCHEMBL6847320 0.76 GSK3B (0.45) KMT2AMEN1POLBHPGDALDH1A1

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 KMT2A 2055/4885MEN1 1889/4885POLB 3858/4885

“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.