SCHEMBL17987882

SCHEMBL17987882

COc1ccc2nc(N/N=C(\C)c3ccccn3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.61
HSP90AA1 P07900 2/20 0.55
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 8/20 0.54
KMT2A Q03164 7/20 0.54
PKM P14618 1/20 0.54
OPRK1 P41145 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
MEN1 O00255 6/20 0.53
HTT P42858 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL17987878 0.91 HSP90AA1 (0.55) SCDHSP90AA1NPC1RAB9APKM
SCHEMBL17987872 0.89 NPC1 (0.57) SCDHSP90AA1NPC1RAB9AMAPT
SCHEMBL17987828 0.85 NPC1 (0.53) SCDHSP90AA1NPC1RAB9AMAPT
SCHEMBL17985741 0.84 RAB9A (0.65) HSP90AA1NPC1RAB9AMAPTKMT2A
SCHEMBL17985747 0.84 HSP90AA1 (0.76) HSP90AA1NPC1RAB9AMAPTKMT2A
SCHEMBL17987873 0.83 HSP90AA1 (0.62) SCDHSP90AA1NPC1RAB9AMAPT
SCHEMBL17987889 0.82 HSP90AA1 (0.54) HSP90AA1NPC1RAB9AMAPTKMT2A
SCHEMBL17987883 0.81 HSP90AA1 (0.50) SCDHSP90AA1NPC1RAB9AMAPT
SCHEMBL17987824 0.80 HSP90AA1 (0.59) HSP90AA1NPC1RAB9AMAPTKMT2A
SCHEMBL17963013 0.78 HSP90AA1 (0.57) HSP90AA1NPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828288-B2 Hydrazone derivatives for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-10 US disclosed
WO-2016123253-A1 HYDRAZNE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 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 (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-10828288-B2 Hydrazone derivatives for the treatment of cancer H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SCD 4802/4885HSP90AA1 1018/4885NPC1 2134/4885

“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.