SCHEMBL10201248

SCHEMBL10201248

CCc1cc(-c2sc(C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])n(CC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL10201247 0.90 STIM1 (0.38) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201213 0.89 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201249 0.89 POLB (0.46) SMN1; SMN2MAPTHTTRAB9ANPC1
SCHEMBL10201259 0.88 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201251 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201236 0.80 STIM1 (0.51) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201258 0.79 NPC1 (0.45) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL10201208 0.79 STIM1 (0.43) SMN1; SMN2HTTRAB9AKMT2AMEN1
SCHEMBL10201540 0.79 MAPT (0.47) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201188 0.78 MAPT (0.52) SMN1; SMN2MAPTHTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 — — WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885HTT 809/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885HTT 809/4885

“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.

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