SCHEMBL6984385

SCHEMBL6984385

O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CXCR5 P32302 1/20 0.46
▸ APLNR P35414 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DEGS1 O15121 1/20 0.43
▸ CA2 P00918 4/20 0.42
▸ CA4 P22748 4/20 0.42
▸ CA7 P43166 4/20 0.42
▸ CA1 P00915 3/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PDGFRB P09619 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
SCHEMBL6983588 0.91 TP53 (0.54) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6983194 0.91 TP53 (0.47) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6984940 0.87 POLB (0.56) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6986284 0.87 TP53 (0.50) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6981584 0.87 POLB (0.52) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6986065 0.86 CA2 (0.55) TP53ALDH1A1POLBHDAC1HDAC6
SCHEMBL6983551 0.86 TP53 (0.47) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6988260 0.86 NPC1 (0.55) TP53ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6978919 0.85 MAPT (0.54) TP53ALDH1A1SMN1; SMN2LMNACXCR5
SCHEMBL6985957 0.85 FLT3 (0.53) TP53ALDH1A1LMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596749-B2 Neuropeptide y receptor ligand LES LABORATOIRES SERVIER (FR) 2003-07-22 — — US disclosed
EP-1044970-B1 Aminotriazole compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-15 — — EP disclosed
US-20010018522-A1 Aminotriazole compounds LES LABORATOIRES SERVIER (FR) 2001-08-30 — — US disclosed
US-6245916-B1 USEFUL AS NEUROPEPTIDE Y RECEPTOR LIGANDS, ANXIOLYTIC AGENTS, SEDATIVES, AND VASOCONSTRICTORS ADIR ET COMPAGNIE (FR) 2001-06-12 — — US disclosed
EP-1044970-A1 Aminotriazole compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-10-18 — — EP 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-20010018522-A1 Aminotriazole compounds NPY1R, NPY2R, NPY4R TP53 4077/4885ALDH1A1 2429/4885SMN1; SMN2 4459/4885

“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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