SCHEMBL12756636

SCHEMBL12756636

O=C(CCc1ccccc1F)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HCAR2 Q8TDS4 4/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ GRK2 P25098 2/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ ELOVL1 Q9BW60 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL12830743 0.90 CNR1 (0.42) MAOBADORA2BRAB9ANPC1SMN1; SMN2
SCHEMBL12756647 0.88 HCAR2 (0.42) MAOBRAB9ANPC1HCAR2TNKS2
SCHEMBL1490538 0.88 POLB (0.43) RAB9ANPC1SMN1; SMN2HCAR2POLB
SCHEMBL12756624 0.86 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HCAR2POLB
SCHEMBL1490744 0.86 HDAC2 (0.47) RAB9ANPC1SMN1; SMN2HCAR2POLB
SCHEMBL15479112 0.83 ALDH1A1 (0.40) RAB9ANPC1LMNAELOVL1MEN1
SCHEMBL1490596 0.83 HCAR2 (0.53) RAB9ANPC1SMN1; SMN2HCAR2POLB
SCHEMBL1490391 0.82 HDAC1 (0.44) RAB9ANPC1SMN1; SMN2HCAR2POLB
SCHEMBL1490660 0.82 HCAR2 (0.48) RAB9ANPC1SMN1; SMN2HCAR2AKR1C3
SCHEMBL1954053 0.81 MEN1 (0.54) RAB9ANPC1SMN1; SMN2POLBMEN1

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
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 (1 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-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAOB 3605/4885ADORA2B 2425/4885RAB9A 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.

Send feedback