Sugi Predict

Sugi Predict / Compounds / SCHEMBL2180757

SCHEMBL2180757

SCHEMBL2180757

Cc1nc(N2CCCCC2)ncc1-c1csc(NC(=O)c2ccnnc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ ANO1 Q5XXA6 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRAF P15056 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ RAF1 P04049 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
SCHEMBL12414204 0.89 ANO1 (0.54) MAPTANO1SMN1; SMN2MEN1KMT2A
SCHEMBL2183161 0.86 POLB (0.41) MAPTANO1POLBSMN1; SMN2BRAF
SCHEMBL15480665 0.86 MAPT (0.41) MAPTPOLBSMN1; SMN2BRAFRAF1
SCHEMBL12414176 0.85 CASP3 (0.54) MAPTANO1POLBSMN1; SMN2BRAF
SCHEMBL2180922 0.84 ANO1 (0.53) MAPTANO1POLBSMN1; SMN2KMT2A
SCHEMBL2180245 0.84 SMN1; SMN2 (0.46) MAPTANO1SMN1; SMN2BRAFMEN1
SCHEMBL14692953 0.84 SMN1; SMN2 (0.42) MAPTANO1POLBSMN1; SMN2MEN1
SCHEMBL12414207 0.81 POLB (0.42) MAPTANO1POLBSMN1; SMN2MEN1
SCHEMBL2181945 0.81 POLB (0.40) MAPTANO1POLBSMN1; SMN2MEN1
SCHEMBL2181822 0.80 MAPT (0.41) MAPTANO1POLBSMN1; SMN2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 — — US disclosed
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 — — US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 — — US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 — — US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 — — US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 — — US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 — — WO 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 (3 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885ANO1 114/4885POLB 4774/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885ANO1 114/4885POLB 4774/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885ANO1 114/4885POLB 4774/4885

“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.