SCHEMBL823916

SCHEMBL823916

NC(N)=Nc1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 2/20 0.44
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 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
Hydrochloric Acid SCHEMBL826373 0.99 LMNA (0.51) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL825944 0.84 ATP4A (0.41) KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL826626 0.83 MAPT (0.47) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL827080 0.79 F10 (0.46) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL826308 0.75 TDP1 (0.48) KMT2AMEN1KDM4ECA12CA1
Hydrochloric Acid SCHEMBL826665 0.73 SMN1; SMN2 (0.53) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL826763 0.71 CTPS1 (0.44) LMNAKMT2AMEN1MAPTGAA
Hydrochloric Acid SCHEMBL826086 0.71 CTPS1 (0.52) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL826687 0.71 MEN1 (0.56) LMNAKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL826618 0.71 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MEN1MAPT

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 2653/4885KMT2A 3451/4885ALDH1A1 4316/4885

“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.