SCHEMBL4300893

SCHEMBL4300893

O=C(O)CCCc1cc(Br)c(Oc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.46
NR4A2 P43354 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL3978764 0.96 CHEK2 (0.43) CHEK2NR4A2THRATHRBMMP2
SCHEMBL4302551 0.91 CHEK2 (0.46) CHEK2THRATHRBMMP2MMP13
SCHEMBL3977650 0.91 CHEK2 (0.44) CHEK2THRATHRBMMP2MMP13
SCHEMBL3978763 0.88 CHEK2 (0.40) CHEK2NR4A2MMP2MMP13MMP9
SCHEMBL4299282 0.85 THRA (0.44) CHEK2THRATHRBMMP2MMP13
SCHEMBL4528770 0.83 THRA (0.46) CHEK2THRATHRB
SCHEMBL4299049 0.81 THRA (0.48) CHEK2THRATHRB
SCHEMBL4299146 0.79 THRA (0.49) CHEK2THRATHRBMMP2MMP13
SCHEMBL3978262 0.78 HDAC6 (0.48) CHEK2THRATHRBHDAC3HDAC4
SCHEMBL3982935 0.76 THRA (0.54) THRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA CHEK2 3149/4885NR4A2 490/4885THRA 3/4885

“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.