SCHEMBL823938

SCHEMBL823938

NC(N)=Nc1nc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
PDE5A O76074 1/20 0.43
ACP1 P24666 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TACR1 P25103 1/20 0.39
CTPS1 P17812 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39

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 SCHEMBL826914 0.99 LMNA (0.47) LMNAHTTPDE5AACP1SMN1; SMN2
Hydrochloric Acid SCHEMBL826574 0.85 PDE5A (0.40) LMNAHTTPDE5ASMN1; SMN2TP53
SCHEMBL823842 0.82 CTPS1 (0.45) LMNASMN1; SMN2TP53CYP2D6CTPS1
Hydrochloric Acid SCHEMBL826763 0.81 CTPS1 (0.44) LMNASMN1; SMN2TP53CYP2D6CTPS1
Hydrochloric Acid SCHEMBL826665 0.79 SMN1; SMN2 (0.53) LMNAHTTSMN1; SMN2TP53CYP2D6
Hydrochloric Acid SCHEMBL826687 0.79 MEN1 (0.56) LMNAHTTSMN1; SMN2TP53CYP2D6
Hydrochloric Acid SCHEMBL825798 0.77 SMN1; SMN2 (0.51) LMNAHTTSMN1; SMN2TP53CYP2D6
Hydrochloric Acid SCHEMBL826386 0.77 SMN1; SMN2 (0.57) SMN1; SMN2TP53CYP2D6ALDH1A1CTPS1
Hydrochloric Acid SCHEMBL826086 0.77 CTPS1 (0.52) LMNAHTTPDE5ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL826314 0.76 SMN1; SMN2 (0.38) LMNAPDE5ASMN1; SMN2TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143296-B2 Thiazole-based compound and inhibitor of T-type calcium channel containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-03-27 US disclosed
US-8143296-B2 Thiazole-based compound and inhibitor of T-type calcium channel containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-15 US disclosed
US-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-15 US 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-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME CACNA1G, CACNA1I, CACNA1H LMNA 2653/4885HTT 687/4885PDE5A 3089/4885

“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.