SCHEMBL714878

SCHEMBL714878

CCOC(=O)Cn1nc(Cc2ccc(Cl)cc2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPK1 P28482 1/20 0.69
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
SCN9A Q15858 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL15656246 0.76 ALDH1A1 (0.61) TSHRALDH1A1MAPK1POLBLMNA
Hydrochloric Acid SCHEMBL21847655 0.74 ALDH1A1 (0.60) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL13870764 0.72 ALDH1A1 (0.49) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL27903178 0.72 PKM (0.47) TSHRALDH1A1MAPK1LMNANPC1
SCHEMBL711049 0.71 HSP90AB1 (0.50) ALDH1A1POLBLMNARAB9ASMN1; SMN2
SCHEMBL1080897 0.71 ALDH1A1 (0.56) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL15656249 0.71 ALDH1A1 (0.77) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL713537 0.71 HSP90AB1 (0.46) ALDH1A1POLBLMNAMAPK8SMN1; SMN2
SCHEMBL2585977 0.70 TSHR (0.54) TSHRALDH1A1MAPK1POLBLMNA
SCHEMBL5960395 0.70 ALDH1A1 (0.76) TSHRALDH1A1MAPK1POLBLMNA

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-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
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

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 TSHR 4445/4885ALDH1A1 3333/4885MAPK1 1406/4885

“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.