SCHEMBL3396536

SCHEMBL3396536

Cc1ccc(-c2csc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
MMP2 P08253 1/20 0.61
MMP8 P22894 1/20 0.61
KDR P35968 5/20 0.58
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL3390183 0.90 MMP2 (0.65) NPC1MMP2MMP8KDRKMT2A
SCHEMBL15401573 0.83 MMP2 (0.76) NPC1MMP2MMP8KDRKMT2A
SCHEMBL28247801 0.82 NPC1 (0.80) NPC1MMP2MMP8KMT2APOLB
SCHEMBL24993421 0.78 MMP2 (0.80) NPC1MMP2MMP8KDRKMT2A
SCHEMBL16458931 0.78 MMP2 (0.86) NPC1MMP2MMP8KDRKMT2A
SCHEMBL9370361 0.78 FAAH (0.61) NPC1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL3396188 0.77 SLC27A1 (0.64) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL30772150 0.77 MMP2 (0.86) NPC1MMP2MMP8KMT2ALMNA
SCHEMBL3394204 0.76 SMN1; SMN2 (0.64) NPC1KMT2APOLBLMNAMEN1
SCHEMBL3394398 0.76 KCNA5 (0.65) KDRKMT2ALMNAMEN1SMN1; SMN2

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-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US claimed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 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 (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-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, CACNA1I NPC1 1815/4885MMP2 3074/4885MMP8 3028/4885

“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.