SCHEMBL23780437

SCHEMBL23780437

C[C@@H](Nc1cnccn1)c1ccc(-c2noc(-c3cccs3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 10/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 5/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL23780438 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NPSR1TP53
SCHEMBL23780425 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2NPSR1TP53
SCHEMBL23780427 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2NPSR1TP53
SCHEMBL23780450 0.82 PPARA (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL23780451 0.82 PPARA (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL23780456 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL23780434 0.80 HDAC1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL23780474 0.80 HDAC1 (0.48) NPC1RAB9ANPSR1ALDH1A1HDAC4
SCHEMBL23780432 0.80 HDAC1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL23780473 0.80 HDAC1 (0.48) NPC1RAB9ANPSR1ALDH1A1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US claimed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 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 (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-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 NPC1 3250/4885RAB9A 1144/4885SMN1; SMN2 74/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 NPC1 3250/4885RAB9A 1144/4885SMN1; SMN2 74/4885

“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.