SCHEMBL324309

SCHEMBL324309

CC(=O)OCC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
PAX8 Q06710 1/20 0.63
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
ATM Q13315 1/20 0.55
PKM P14618 2/20 0.54
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
IL18 Q14116 1/20 0.50
RORC P51449 1/20 0.49

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
SCHEMBL20037209 0.82 PAX8 (0.46) ALDH1A1PAX8MAPTSMN1; SMN2RAB9A
SCHEMBL13841454 0.80 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14075485 0.80 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL11260465 0.80 MAPT (0.57) ALDH1A1PAX8MAPTRAB9AKMT2A
SCHEMBL20941638 0.79 SAE1 (0.62) ALDH1A1PAX8MAPTRAB9AKMT2A
SCHEMBL20941640 0.79 KDM1A (0.61) ALDH1A1PAX8MAPTSMN1; SMN2RAB9A
SCHEMBL10238819 0.79 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL16569387 0.79 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6607271 0.79 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4594156 0.78 SMN1; SMN2 (0.74) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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 12 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-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
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP 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
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP 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 ALDH1A1 2584/4885PAX8 4385/4885MAPT 584/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 ALDH1A1 2584/4885PAX8 4385/4885MAPT 584/4885

“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.