SCHEMBL10239290

SCHEMBL10239290

Cc1cc(C#N)c(C(F)(F)F)cc1-n1nnnc1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AR P10275 1/20 0.41
PSMD14 O00487 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NSD2 O96028 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
LRRK2 Q5S007 2/20 0.34
SOS1 Q07889 1/20 0.34
CNR2 P34972 1/20 0.33
GRM2 Q14416 1/20 0.33
MOK Q9UQ07 1/20 0.33

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
Hydrochloric Acid SCHEMBL15168481 0.99 ALDH1A1 (0.44) ALDH1A1LMNATHRBL3MBTL1CYP1A2
SCHEMBL15179480 0.82 CYP1A2 (0.56) ALDH1A1LMNATHRBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL327319 0.81 CYP1A2 (0.55) ALDH1A1LMNATHRBL3MBTL1CYP1A2
SCHEMBL324111 0.81 LRRK2 (0.36) ARLRRK2
SCHEMBL10239643 0.81 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1ARLRRK2
SCHEMBL10239586 0.80 ALDH1A1 (0.47) ALDH1A1LMNATHRBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL15168903 0.79 ALDH1A1 (0.47) ALDH1A1LMNATHRBL3MBTL1CYP1A2
SCHEMBL10239291 0.79 LRRK2 (0.33) ALDH1A1ARLRRK2GRM2
SCHEMBL19309328 0.77 SOS1 (0.33) ARLRRK2SOS1
SCHEMBL16192660 0.77 SOS1 (0.33) ARLRRK2SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP claimed
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
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 ALDH1A1 2584/4885LMNA 1443/4885THRB 538/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 ALDH1A1 2584/4885LMNA 1443/4885THRB 538/4885

“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.