SCHEMBL331050

SCHEMBL331050

O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
HTT P42858 2/20 0.74
OPRK1 P41145 1/20 0.74
TMPRSS4 Q9NRS4 7/20 0.62
ALDH1A1 P00352 1/20 0.61
EGFR P00533 1/20 0.61
LMNA P02545 1/20 0.61
ERBB2 P04626 1/20 0.61
CYP1A2 P05177 1/20 0.61
LCK P06239 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
PTGS1 P23219 1/20 0.61
MAPK1 P28482 1/20 0.61
MAPK14 Q16539 1/20 0.61
HSPD1 P10809 2/20 0.59
HSPE1 P61604 2/20 0.59
P2RX1 P51575 11/20 0.51
P2RX7 Q99572 6/20 0.51

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
SCHEMBL4922276 0.96 MEN1 (0.76) MEN1KMT2AHTTOPRK1TMPRSS4
SCHEMBL574776 0.86 MEN1 (0.74) MEN1KMT2AHTTOPRK1TMPRSS4
Fluorosalan SCHEMBL30318966 0.85 MEN1 (1.00) MEN1KMT2AHTTOPRK1TMPRSS4
Fluorosalan SCHEMBL29484458 0.85 MEN1 (1.00) MEN1KMT2AHTTOPRK1TMPRSS4
Fluorosalan SCHEMBL30288529 0.85 MEN1 (1.00) MEN1KMT2AHTTOPRK1TMPRSS4
Fluorosalan SCHEMBL374268 0.85 MEN1 (1.00) MEN1KMT2AHTTOPRK1TMPRSS4
SCHEMBL8764506 0.85 MEN1 (0.66) MEN1KMT2AHTTOPRK1TMPRSS4
SCHEMBL129638 0.82 TMPRSS4 (0.90) MEN1KMT2AHTTOPRK1TMPRSS4
Fluorosalan SCHEMBL8668901 0.81 MEN1 (0.91) MEN1KMT2AHTTOPRK1TMPRSS4
SCHEMBL3497444 0.79 MEN1 (0.65) MEN1KMT2AHTTOPRK1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4495/4885KMT2A 4486/4885HTT 3012/4885

“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.