SCHEMBL713537

SCHEMBL713537

CC(C)(C)n1nc(Cc2ccc(Cl)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ADCY10 Q96PN6 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SRC P12931 2/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 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
SCHEMBL711049 0.80 HSP90AB1 (0.50) HSP90AB1POLBGAAGFERSMN1; SMN2
SCHEMBL14617258 0.71 SRC (0.53) SRCLMNACYP1A2CYP2C19RIPK2
SCHEMBL19433402 0.71 SMN1; SMN2 (0.38) POLBGAAGFERSMN1; SMN2KMT2A
SCHEMBL714878 0.71 TSHR (0.69) POLBSCN9ASMN1; SMN2KMT2AMEN1
SCHEMBL23497395 0.70 PARP1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL10284909 0.68 HSP90AB1 (0.44) HSP90AB1POLBGAAGFERSCN9A
SCHEMBL23513578 0.68 MAOA (0.47) HSP90AB1SMN1; SMN2MAPTLMNA
SCHEMBL1964244 0.66 SRC (0.75) SMN1; SMN2KMT2AMEN1SRCLMNA
SCHEMBL23497390 0.66 BACE1 (0.50) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL18010658 0.66 POLB (0.46) HSP90AB1POLBGAAGFERSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A HSP90AB1 2234/4885POLB 4439/4885GAA 3730/4885

“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.