SCHEMBL23812478

SCHEMBL23812478

CCCCCCCCCCNC(=O)Cn1cc(CCCCCc2c[nH]c(N)n2)nn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.44
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP19A1 P11511 3/20 0.41
▸ GBA1 P04062 5/20 0.41
▸ GGPS1 O95749 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ NEU2 Q9Y3R4 1/20 0.39

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 SCHEMBL1523537 0.99 FOLH1 (0.43) FOLH1HRH4HRH3ALDH1A1CYP19A1
SCHEMBL12648750 0.98 FOLH1 (0.44) FOLH1HRH4HRH3ALDH1A1CYP19A1
Hydrochloric Acid SCHEMBL1523213 0.97 FOLH1 (0.43) FOLH1HRH4HRH3ALDH1A1CYP19A1
Hydrochloric Acid SCHEMBL1523643 0.97 FOLH1 (0.43) FOLH1HRH4HRH3ALDH1A1CYP19A1
Hydrochloric Acid SCHEMBL1523934 0.97 FOLH1 (0.43) FOLH1HRH4HRH3ALDH1A1CYP19A1
SCHEMBL12595385 0.97 FOLH1 (0.42) FOLH1HRH4HRH3ALDH1A1CYP19A1
SCHEMBL12764913 0.94 FOLH1 (0.42) FOLH1HRH4HRH3ALDH1A1GBA1
SCHEMBL12648794 0.86 EPHX2 (0.48) HRH4HRH3GBA1EPHX2
SCHEMBL12595319 0.86 EPHX2 (0.48) HRH4HRH3GBA1EPHX2
SCHEMBL12648747 0.86 EPHX2 (0.48) HRH4HRH3GBA1EPHX2

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-20210283107-A1 Methods to Expand the Spectrum of Gram-Positive Antibiotics UNIV NORTH CAROLINA STATE (US) 2021-09-16 — — 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-20210283107-A1 Methods to Expand the Spectrum of Gram-Positive Antibiotics RPN2, RPN1, MGAM FOLH1 1214/4885HRH4 3089/4885HRH3 2669/4885

“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.

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