SCHEMBL6847500

SCHEMBL6847500

O=C(CCN1CCN(c2ccco2)CC1)c1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 2/20 0.40
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MPI P34949 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 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
SCHEMBL13519369 0.79 GSK3B (0.50) HTR1AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6847854 0.79 MEN1 (0.51) HTR1AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6847731 0.77 KMT2A (0.60) KMT2AMEN1ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL5365921 0.75 KMT2A (0.52) HTR1AKMT2AMEN1ALDH1A1GSK3B
SCHEMBL13562643 0.75 HTR1A (0.62) HTR1AKMT2AALDH1A1LMNAKDM4E
SCHEMBL13519368 0.73 GSK3B (0.44) HTR1AKMT2AMEN1ALDH1A1HPGD
SCHEMBL14577889 0.71 LMNA (0.47) KMT2AMEN1ALDH1A1HPGDGSK3B
Hydrochloric Acid SCHEMBL5361211 0.71 ALDH1A1 (0.49) HTR1AKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5361206 0.71 ALDH1A1 (0.51) PKMKMT2AMEN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5358063 0.70 LMNA (0.46) KMT2AMEN1ALDH1A1HPGDGSK3B

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 4 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
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 HTR1A 2819/4885PKM 666/4885KMT2A 2055/4885

“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.