SCHEMBL12756347

SCHEMBL12756347

Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TP53 P04637 6/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ FAAH O00519 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
SCHEMBL12831077 0.92 KMT2A (0.42) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12830013 0.89 RAB9A (0.41) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12756308 0.89 FAAH (0.40) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12756356 0.88 KMT2A (0.41) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12830134 0.87 FAAH (0.39) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12830448 0.86 FAAH (0.40) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12830119 0.85 GRM4 (0.37) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12756330 0.85 MEN1 (0.45) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL1490260 0.84 RAB9A (0.41) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL12756309 0.84 RAB9A (0.43) KMT2AMAPTMEN1RAB9ATP53

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 5 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
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 KMT2A 4706/4885MAPT 1478/4885ALDH1A1 4409/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MAPT 1478/4885ALDH1A1 4409/4885

“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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