SCHEMBL23780458

SCHEMBL23780458

CC(Nc1cnccn1)c1ccc(-c2noc(-c3ccco3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP3 P42574 1/20 0.49
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC4 P56524 5/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 3/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL23780456 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL23780427 0.85 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1
SCHEMBL23780425 0.85 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1
SCHEMBL23780411 0.83 HDAC1 (0.45) NPC1RAB9AHDAC1HDAC6HDAC4
SCHEMBL23780409 0.83 HDAC1 (0.45) NPC1RAB9AHDAC1HDAC6HDAC4
SCHEMBL23780469 0.81 HDAC6 (0.49) HDAC1HDAC6HDAC4GPR55HDAC8
SCHEMBL23780471 0.81 HDAC6 (0.49) HDAC1HDAC6HDAC4GPR55HDAC8
SCHEMBL23780432 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC4POLBGPR55
SCHEMBL23780473 0.81 HDAC1 (0.48) NPC1RAB9AALDH1A1HDAC1HDAC6
SCHEMBL23780474 0.81 HDAC1 (0.48) NPC1RAB9AALDH1A1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
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 (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-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.