SCHEMBL4451964

SCHEMBL4451964

CC(C(=O)O)C(C)c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
MYOC Q99972 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
HSPB1 P04792 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL3135882 0.79 KMT2A (0.44) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3133551 0.78 MEN1 (0.68) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3141333 0.76 SMN1; SMN2 (0.47) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3137474 0.76 MEN1 (0.49) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3140991 0.76 PTGS1 (0.53) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3138142 0.76 HTT (0.53) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL5381954 0.75 HSPB1 (0.51) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3914980 0.74 POLB (0.52) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3910543 0.74 ALDH1A1 (0.58) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3911244 0.73 MEN1 (0.48) MEN1KMT2AMAPTNPSR1NPC1

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 MEN1 775/4885KMT2A 2430/4885MAPT 3554/4885

“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.