SCHEMBL16636856

SCHEMBL16636856

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
AKT1 P31749 1/20 0.40

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
SCHEMBL16636716 0.90 IL2 (0.45) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL16636706 0.88 MEN1 (0.47) MAPTTP53MEN1KMT2ATDP1
SCHEMBL16636743 0.86 IL2 (0.44) MAPTTP53MEN1KMT2AHTT
SCHEMBL16636954 0.85 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL16636877 0.85 SMN1; SMN2 (0.38) MAPTTP53MEN1KMT2ATDP1
SCHEMBL16636502 0.80 JAK2 (0.40) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL16636701 0.80 IL2 (0.42) TP53MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL31222102 0.80 MEN1 (0.45) MAPTTP53MEN1KMT2ATDP1
SCHEMBL31222089 0.80 L3MBTL1 (0.47) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL16636788 0.80 MEN1 (0.44) MAPTTP53MEN1KMT2ATDP1

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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885TP53 2681/4885MEN1 2958/4885

“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.