SCHEMBL29633134

SCHEMBL29633134

N=C(N)c1cccc(CCCCCCCc2cccc(C(=N)N)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35

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
SCHEMBL22120114 1.00 KCNH2 (0.48) KCNH2HRH1HRH4CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL10372072 0.86 KCNH2 (0.51) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22073049 0.84 GRIN2D (0.44) KCNH2HRH4GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL9153717 0.82 GRIN2D (0.46) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL28693450 0.81 KCNH2 (0.48) KCNH2CYP4F2CYP4A11
SCHEMBL15102639 0.81 GRIN2D (0.44) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL14732900 0.80 CCR1 (0.44) KCNH2
Hydrochloric Acid SCHEMBL17984763 0.79 GRIN2D (0.46) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16579386 0.79 HRH4 (0.37) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17866588 0.77 KDM4E (0.46)

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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2025-12-25 US disclosed
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. 2022-05-12 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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR MALT1, SLC38A7, SLC7A1 KCNH2 4100/4885HRH1 112/4885HRH4 244/4885
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR DPYD, TYMP, GOT1 KCNH2 4581/4885HRH1 1437/4885HRH4 1849/4885

“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.