SCHEMBL12156197

SCHEMBL12156197

CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3c2CCC3)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ABL1 P00519 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ RAB9A P51151 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ TBK1 Q9UHD2 3/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12155992 0.98 HDAC4 (0.37) HDAC4HDAC6NPSR1SMN1; SMN2ABL1
SCHEMBL12241318 0.85 NPSR1 (0.39) NPSR1SMN1; SMN2ABL1MAPTRAB9A
SCHEMBL12156190 0.85 ABL1 (0.39) NPSR1SMN1; SMN2ABL1RAB9AALDH1A1
SCHEMBL12241314 0.83 NPSR1 (0.39) NPSR1SMN1; SMN2ABL1MAPTRAB9A
SCHEMBL12241305 0.83 ABL1 (0.39) NPSR1SMN1; SMN2ABL1RAB9AALDH1A1
SCHEMBL12156181 0.81 NPC1 (0.44) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL12156184 0.80 IL2 (0.42) HDAC4HDAC6
SCHEMBL12156185 0.79 IL2 (0.45) —
SCHEMBL12155987 0.79 ALDH1A1 (0.39) HDAC4HDAC6NPSR1SMN1; SMN2MAPT
SCHEMBL12156186 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MAPTGSK3BRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC4 1630/4885HDAC6 1662/4885NPSR1 1857/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC4 1630/4885HDAC6 1662/4885NPSR1 1857/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC4 1630/4885HDAC6 1662/4885NPSR1 1857/4885

“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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