SCHEMBL1490470

SCHEMBL1490470

Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cnccn2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
GBA1 P04062 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL12756823 0.87 ALDH1A1 (0.45) ANO1NPC1RAB9AKDM4EMAPT
SCHEMBL12756832 0.86 POLB (0.40) PIM1PIM3PIM2MAPTALDH1A1
SCHEMBL15480665 0.85 MAPT (0.41) PIM1PIM3PIM2MAPTSMN1; SMN2
SCHEMBL2180922 0.85 ANO1 (0.53) ANO1NPC1RAB9AKDM4EGAA
SCHEMBL12756829 0.83 MAPT (0.44) PIM1PIM3MAPTALDH1A1SMN1; SMN2
SCHEMBL15480663 0.83 MAPT (0.40) MAPTSMN1; SMN2POLBHTT
SCHEMBL12756830 0.83 MAPT (0.41) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL12756807 0.82 MAPT (0.44) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL12830911 0.80 SMN1; SMN2 (0.47) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL12414204 0.72 ANO1 (0.54) ANO1NPC1RAB9AKDM4EMAPT

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-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
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US 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
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 ANO1 114/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885NPC1 262/4885RAB9A 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.