SCHEMBL12830144

SCHEMBL12830144

Cc1ccc(-c2scc(NC(=O)c3cnc4ccccc4n3)c2C(=O)O)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL1908204 0.85 NPC1 (0.52) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL12756620 0.84 NTRK1 (0.36) NPC1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL12830018 0.81 LMNA (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1490260 0.80 RAB9A (0.41) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL12830147 0.79 SMN1; SMN2 (0.52) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL12756566 0.79 HPGD (0.36) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL12756613 0.78 SMN1; SMN2 (0.51) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL12756369 0.77 KDM4E (0.34) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12756411 0.77 NPC1 (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12756865 0.77 POLB (0.49) RAB9ANPC1MAPTALDH1A1NTRK1

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 RAB9A 1174/4885NPC1 262/4885MAPT 1478/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MAPT 1478/4885

“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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