SCHEMBL4295197

SCHEMBL4295197

Nc1ccc(Oc2c(Br)cc(/C=C/C(=O)O)cc2Br)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
NR4A1 P22736 1/20 0.42
THRB P10828 4/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
SRD5A2 P31213 1/20 0.39
THRA P10827 2/20 0.38
ESR1 P03372 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 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
SCHEMBL4295204 1.00 KDM4E (0.44) KDM4EGAAAKR1C3AKR1C2NR4A1
SCHEMBL3130655 0.86 KDM4E (0.46) KDM4EGAAAKR1C3AKR1C2THRB
SCHEMBL3130645 0.86 KDM4E (0.46) KDM4EGAAAKR1C3AKR1C2THRB
SCHEMBL3910943 0.86 TTR (0.42) KDM4EGAAAKR1C3NR4A1ALDH1A1
SCHEMBL3140994 0.79 MEN1 (0.47) KDM4EGAANPSR1SRD5A2ESR1
SCHEMBL3141009 0.79 MEN1 (0.47) KDM4EGAANPSR1SRD5A2ESR1
SCHEMBL7071177 0.76 THRA (0.68) THRBTHRA
SCHEMBL7071180 0.76 THRA (0.68) THRBTHRA
SCHEMBL5859435 0.75 THRB (0.60) THRBTHRA
SCHEMBL20472039 0.75 AKR1C3 (0.62) KDM4EGAAAKR1C3AKR1C2THRB

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 KDM4E 1775/4885GAA 3977/4885AKR1C3 266/4885

“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.