SCHEMBL6847840

SCHEMBL6847840

Cc1csc(C(=O)CCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
DAO P14920 2/20 0.45
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 1/20 0.40
TSPO P30536 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL6847015 0.92 HDAC4 (0.43) HDAC4HDAC6DAOMEN1KMT2A
SCHEMBL6847616 0.85 OPRM1 (0.41) HDAC4HDAC6DAOHDAC3HDAC1
SCHEMBL6847929 0.85 ACKR3 (0.45) HDAC4HDAC6DAOMEN1KMT2A
SCHEMBL3865201 0.81 DAO (0.51) DAOMAPTL3MBTL1NPC1RAB9A
SCHEMBL7085790 0.78 DAO (0.55) DAOMEN1KMT2AMAPTL3MBTL1
SCHEMBL15979699 0.75 DAO (0.63) DAOMEN1KMT2AMAPTNPC1
SCHEMBL13562691 0.73 ALDH1A1 (0.53) MEN1KMT2AMAPTCA12CA1
SCHEMBL13517865 0.73 DAO (0.42) DAOMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL8725187 0.73 KMT2A (0.59) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL6917802 0.73 DAO (0.60) DAOMEN1KMT2ANPC1RAB9A

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 5 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
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 HDAC4 1956/4885HDAC6 1030/4885DAO 581/4885

“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.