SCHEMBL10239286

SCHEMBL10239286

CS(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)c(C#N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 9/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
AR P10275 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRMT1 Q99873 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
P4HB P07237 1/20 0.35

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
SCHEMBL15168927 0.85 AR (0.43) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL15168982 0.82 AR (0.41) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL10239282 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL15168547 0.80 ALDH1A1 (0.56) NPSR1ALDH1A1MEN1KMT2APOLB
SCHEMBL10239288 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL15168843 0.79 NPSR1 (0.54) NPSR1ALDH1A1MEN1KMT2APOLB
SCHEMBL327792 0.78 AR (0.46) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL12502948 0.77 AR (0.44) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL15179500 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL15167817 0.77 LMNA (0.48) NPSR1ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 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 (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-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 NPSR1 1585/4885ALDH1A1 2584/4885MEN1 1939/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 NPSR1 1585/4885ALDH1A1 2584/4885MEN1 1939/4885

“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.