SCHEMBL30121657

SCHEMBL30121657

C#CCOc1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.59
▸ CYP3A4 P08684 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ MAOA P21397 4/20 0.54
▸ TSHR P16473 1/20 0.50
▸ APP P05067 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ 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
SCHEMBL2227926 1.00 MAOB (0.59) MAOBCYP3A4TP53MAOATSHR
SCHEMBL13338101 0.86 MAOB (0.59) MAOBMAOATSHRALDH1A1ACHE
SCHEMBL28890994 0.84 MAOB (0.48) MAOBCYP3A4TP53MAOATSHR
SCHEMBL31691312 0.81 ALDH1A1 (0.65) MAOBCYP3A4MAOATSHRALDH1A1
SCHEMBL20530603 0.81 MAOB (0.58) MAOBCYP3A4MAOAACHECA12
SCHEMBL3054840 0.81 CYP3A4 (0.58) MAOBCYP3A4TP53MAOATSHR
SCHEMBL30085021 0.81 CYP3A4 (0.58) MAOBCYP3A4TP53MAOATSHR
SCHEMBL513677 0.81 CYP3A4 (0.58) MAOBCYP3A4TP53MAOATSHR
SCHEMBL30772215 0.79 CYP3A4 (0.61) MAOBCYP3A4TP53TSHRAPP
SCHEMBL20530611 0.79 MAOB (0.54) MAOBCYP3A4MAOAALDH1A1ACHE

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
US-20250388523-A1 18F-LABELED PEPTIDE LIGANDS USEFUL IN PET AND CERENKOV LUMINESCENE IMAGING CORNELL UNIVERSITY (US) 2025-12-25 — — US disclosed
CN-115716808-A 18F-labeled triazoles containing PSMA inhibitors 康奈尔大学 2023-02-28 — — CN disclosed
CN-109843338-B Containing PSMA inhibitors 18 F-labelled triazoles 康奈尔大学 2022-12-13 — — CN 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-20250388523-A1 18F-LABELED PEPTIDE LIGANDS USEFUL IN PET AND CERENKOV LUMINESCENE IMAGING SCTR, SSTR3, SSTR1 MAOB 3159/4885CYP3A4 4388/4885TP53 3813/4885

“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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