SCHEMBL5065111

SCHEMBL5065111

CC(=O)Oc1cccc(Br)c1C(=O)Nc1nc(C(C)(C)C)c(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 3/20 0.51
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 5/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
ADORA1 P30542 2/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL5060488 0.82 ADORA2A (0.37) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL330269 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL20481622 0.71 KMT2A (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL14599311 0.69 RAB9A (0.55) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL331430 0.69 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4756752 0.68 KDM4E (0.48) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL10114116 0.67 NPC1 (0.54) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4264348 0.67 KDM4E (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21719030 0.66 MAPK1 (0.44) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL331551 0.65 TRPV4 (0.47) ALDH1A1MEN1KMT2AMAPTRAB9A

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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885MEN1 4504/4885KMT2A 4531/4885

“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.