SCHEMBL12830503

SCHEMBL12830503

O=C(Nc1csc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 5/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GCK P35557 1/20 0.39
KCNK3 O14649 1/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2181427 0.84 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12830493 0.81 RAB9A (0.47) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL15480685 0.77 MEN1 (0.54) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL1490346 0.76 MEN1 (0.50) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL12831298 0.76 SMN1; SMN2 (0.57) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL1490500 0.74 MEN1 (0.50) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL1490367 0.74 MEN1 (0.50) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL12831287 0.74 KDM4E (0.44) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL1490627 0.74 MEN1 (0.49) MEN1KMT2AMAPTPOLBCRHBP
SCHEMBL1490671 0.73 POLB (0.48) MEN1KMT2AMAPTPOLBCRHBP

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
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885MAPT 1478/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885MAPT 1478/4885

“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.