SCHEMBL12977899

SCHEMBL12977899

O=C(Nc1cccnc1)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ EPHX2 P34913 1/20 0.67
▸ CYP11B1 P15538 5/20 0.66
▸ CYP11B2 P19099 5/20 0.66
▸ NAMPT P43490 7/20 0.64
▸ LMNA P02545 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL27927283 0.86 EPHX2 (0.87) RAB9ANPC1EPHX2CYP11B1CYP11B2
SCHEMBL791532 0.85 LMNA (0.58) RAB9ANPC1EPHX2CYP11B1CYP11B2
SCHEMBL9808115 0.80 CYP11B1 (1.00) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL30582756 0.80 CYP11B1 (1.00) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL7126678 0.80 ROCK2 (0.64) RAB9ANPC1EPHX2NAMPTLMNA
SCHEMBL12977924 0.78 CYP11B1 (0.66) RAB9ANPC1EPHX2CYP11B1CYP11B2
SCHEMBL12978270 0.78 RAB9A (0.74) RAB9ANPC1EPHX2CYP11B1CYP11B2
SCHEMBL5435462 0.78 NAMPT (0.76) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL3642636 0.78 NAMPT (0.81) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL167081 0.78 NAMPT (1.00) RAB9ANPC1CYP11B1CYP11B2NAMPT

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885NPC1 4631/4885EPHX2 2167/4885

“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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