SCHEMBL12830018

SCHEMBL12830018

Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4s3)c2C(=O)O)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 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
▸ HDAC1 Q13547 1/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL12830025 0.89 NPC1 (0.47) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL12830419 0.87 CASP3 (0.38) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL1490266 0.86 HDAC1 (0.47) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL12830036 0.85 HDAC1 (0.50) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL1954046 0.85 LMNA (0.49) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL12829837 0.84 LMNA (0.48) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL12830028 0.83 HDAC1 (0.48) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL12756404 0.82 NPC1 (0.53) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL12756620 0.82 NTRK1 (0.36) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12830144 0.81 RAB9A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US 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

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 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885

“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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