SCHEMBL21949697

SCHEMBL21949697

CCN(N)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
KCNA5 P22460 2/20 0.33
CYP2D6 P10635 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNH2 Q12809 1/20 0.31
AOC3 Q16853 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HTT P42858 1/20 0.31
P2RX7 Q99572 1/20 0.30

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 SCHEMBL20515794 0.97 HSP90AA1 (0.33) HSP90AA1KCNA5CYP2D6KCNE1KCNH2
SCHEMBL4165548 0.75 CTH (0.36) HSP90AA1KCNA5CYP2D6KCNE1KCNH2
SCHEMBL2775015 0.75 CYP2D6 (0.48) KCNA5CYP2D6KCNE1KCNH2NOS3
SCHEMBL20515694 0.73 CTH (0.32) HSP90AA1
SCHEMBL1554369 0.72 MAPT (0.39) KCNA5CYP2D6KCNE1
SCHEMBL12888687 0.70 CYP2D6 (0.34) KCNA5CYP2D6KCNE1KCNH2HTT
SCHEMBL1679702 0.70 HSD17B10 (0.38) HSP90AA1P2RX7
SCHEMBL6350251 0.69
SCHEMBL21949702 0.69 MAOA (0.33) HSP90AA1
SCHEMBL20515541 0.69 MAPT (0.32) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-05-05 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-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD HSP90AA1 918/4885KCNA5 633/4885CYP2D6 2088/4885

“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.