SCHEMBL767089

SCHEMBL767089

O=C(Nc1c(F)cccc1F)[SeH]1[C]=CC=C1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NLRP3 Q96P20 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PDE4D Q08499 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL18415481 0.65 KMT2A (0.59) KMT2AALDH1A1CA12CA1CA2
SCHEMBL2095077 0.64 KMT2A (0.62) KMT2AALDH1A1CA12CA1CA2
SCHEMBL2095075 0.64 KMT2A (0.57) KMT2AALDH1A1CA12CA1CA2
SCHEMBL20560667 0.62 KMT2A (0.55) KMT2AALDH1A1CA12CA1CA2
SCHEMBL1430230 0.62 KMT2A (0.55) KMT2AALDH1A1CA12CA1CA2
SCHEMBL1440801 0.62 KMT2A (0.55) KMT2AALDH1A1CA12CA1CA2
SCHEMBL1428912 0.62 KMT2A (0.53) KMT2AALDH1A1THRBNLRP3MEN1
SCHEMBL15527872 0.62 TP53 (0.57) KMT2AALDH1A1MEN1PDE4DNPC1
SCHEMBL23808915 0.61 KMT2A (0.63) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL22390700 0.61 KMT2A (0.58) KMT2AALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 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-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885ALDH1A1 4409/4885THRB 1606/4885

“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.