SCHEMBL1490266

SCHEMBL1490266

Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4s3)c2C(=O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL12830028 0.90 HDAC1 (0.48) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12830018 0.86 LMNA (0.48) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12756404 0.85 NPC1 (0.53) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL1898575 0.84 MEN1 (0.52) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12830036 0.84 HDAC1 (0.50) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12830025 0.82 NPC1 (0.47) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12830021 0.82 HDAC1 (0.49) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12756337 0.81 GRM2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12830038 0.80 HDAC1 (0.50) HDAC1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL12830114 0.78 ANO1 (0.40) HDAC1NPC1RAB9AMEN1KMT2A

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 — — US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 — — EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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
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 HDAC1 2696/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC1 2696/4885NPC1 262/4885RAB9A 1174/4885

“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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