SCHEMBL2180245

SCHEMBL2180245

Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2cccc(F)c2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 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
SCHEMBL12414176 0.92 CASP3 (0.54) SMN1; SMN2MAPTTP53CASP3SENP8
SCHEMBL12414204 0.86 ANO1 (0.54) SMN1; SMN2MAPTTP53TSHRRAB9A
SCHEMBL12830911 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTP53TSHRMAPK1
SCHEMBL2183161 0.84 POLB (0.41) SMN1; SMN2MAPTCASP3SENP8SENP7
SCHEMBL2180757 0.84 MAPT (0.41) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL14692953 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTP53RAB9ANPC1
SCHEMBL2180922 0.80 ANO1 (0.53) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL2181945 0.79 POLB (0.40) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL12414207 0.79 POLB (0.42) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL2181822 0.78 MAPT (0.41) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 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 (3 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885TP53 2681/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885TP53 2681/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885TP53 2681/4885

“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.