SCHEMBL12756309

SCHEMBL12756309

O=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 8/20 0.42
▸ TP53 P04637 3/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ HSPE1 P61604 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
SCHEMBL12830013 0.92 RAB9A (0.41) RAB9AMAPTTP53ABL1FAAH
SCHEMBL12829835 0.90 MAPT (0.44) RAB9AMAPTTP53POLB
SCHEMBL12830991 0.89 PTPN2 (0.42) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12830016 0.89 RAB9A (0.39) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12830017 0.89 KDM4E (0.45) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12830448 0.88 FAAH (0.40) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12830993 0.88 TP53 (0.45) MAPTTP53POLB
SCHEMBL12831077 0.86 KMT2A (0.42) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12830134 0.86 FAAH (0.39) RAB9AMAPTTP53FAAHMEN1
SCHEMBL12756330 0.85 MEN1 (0.45) RAB9AMAPTTP53FAAHMEN1

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 4 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
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 1174/4885MAPT 1478/4885TP53 2681/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885MAPT 1478/4885TP53 2681/4885

“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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