SCHEMBL1273704

SCHEMBL1273704

CCCN(CCC)S(=O)(=O)c1ccc(Cn2nc(NC(=O)Cc3ccc(OC)cc3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
PTGER4 P35408 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
BMP1 P13497 6/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ROCK2 O75116 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1273828 0.92 POLB (0.46) ALDH1A1KDM4ETAS2R14PTGER4BMP1
SCHEMBL1274203 0.89 POLB (0.46) ALDH1A1KDM4ETAS2R14BMP1POLB
SCHEMBL1273266 0.85 MAPT (0.61) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL1274226 0.85 MAPT (0.54) ALDH1A1POLBGAAMAPTNPSR1
SCHEMBL1273674 0.85 PTGER4 (0.46) ALDH1A1KDM4ETAS2R14PTGER4BMP1
SCHEMBL6532488 0.85 CA12 (0.46) CNR2POLBGAAMAPTNPSR1
SCHEMBL1273703 0.82 POLB (0.47) ALDH1A1KDM4ETAS2R14POLBGAA
SCHEMBL1273818 0.81 MAPT (0.44) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL1274193 0.79 ALDH1A1 (0.49) ALDH1A1POLBMAPT
SCHEMBL1273700 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-02-17 US disclosed
WO-2005056532-A1 INDAZOLE DERIVATIVES WHICH INTERACT WITH THE G-PROTEIN COUPLED RECEPTOR FAMILY BIOFOCUS DISCOVERY LIMITED (GB) 2005-06-23 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-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders BRS3, GPR3, GABRA3 ALDH1A1 4548/4885KDM4E 1514/4885TAS2R14 441/4885

“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.