SCHEMBL13826736

SCHEMBL13826736

O=C(N/N=C/c1ccccn1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 1.00
▸ NPC1 O15118 6/20 1.00
▸ KMT2A Q03164 5/20 0.83
▸ LMNA P02545 4/20 0.83
▸ MEN1 O00255 4/20 0.83
▸ SMN1; SMN2 Q16637 4/20 0.83
▸ MAPT P10636 4/20 0.75
▸ AGTR1 P30556 4/20 0.75
▸ OPRK1 P41145 4/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ KDM4E B2RXH2 6/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ ASF1A Q9Y294 1/20 0.70
▸ POLB P06746 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ HTT P42858 3/20 0.66
▸ MITF O75030 1/20 0.63

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
SCHEMBL30762094 1.00 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL29785652 1.00 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL28738931 1.00 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL13906014 0.91 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL3067021 0.91 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL13906013 0.87 RAB9A (0.81) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL12746286 0.86 RAB9A (0.76) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL23062734 0.86 RAB9A (0.79) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL10804555 0.86 RAB9A (0.86) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL12746295 0.86 RAB9A (1.00) RAB9ANPC1KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573608-B Schiff base pyridine metal complex and preparation method and application thereof 蚌埠医学院 2024-04-16 — — CN disclosed
CN-114573608-B Schiff base pyridine metal complex and preparation method and application thereof 蚌埠医学院 2024-04-16 — — CN disclosed
CN-111579510-B Light sensing film and method for rapidly and quantitatively detecting Cd (II), cu (II) and Zn (II) selectively 西安建筑科技大学 2023-08-15 — — CN disclosed
CN-114573608-A Schiff base pyridine metal complex and preparation method and application thereof 蚌埠医学院 2022-06-03 — — CN disclosed
US-9302019-B2 Fe(II) sequestering agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-04-05 — — US disclosed
US-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW (US) 2014-03-13 — — US disclosed
WO-2012155085-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-11-15 — — WO disclosed
WO-2009035534-A2 TREATMENT OF ISCHEMIC EYE DISEASE BY THE SYSTEMATIC PHARMACEUTICAL ACTIVATION OF HYPOXIA INDUCIBLE FACTOR (HIF) THE CLEVELAND CLINIC FOUNDATION (US) 2009-03-19 — — WO 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-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 RAB9A 2755/4885NPC1 319/4885KMT2A 3618/4885

“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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