SCHEMBL18503598

SCHEMBL18503598

O=C(NCC(F)(F)c1ccc(-c2cncc(F)c2)cc1F)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 13/20 0.49
▸ CYP11B1 P15538 11/20 0.43
▸ TP53 P04637 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CHRM3 P20309 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ PTGES O14684 1/20 0.36

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
SCHEMBL18503611 0.93 CYP11B2 (0.42) CYP11B2CYP11B1TP53IDO1LMNA
SCHEMBL18503595 0.90 CYP11B2 (0.42) CYP11B2CYP11B1TP53LMNAGAA
SCHEMBL18503591 0.90 TP53 (0.40) CYP11B2TP53IDO1LMNAGAA
SCHEMBL18503629 0.90 LMNA (0.41) CYP11B2CYP11B1TP53LMNAGAA
SCHEMBL18503596 0.88 CYP11B2 (0.60) CYP11B2CYP11B1TP53HCRTR1HCRTR2
SCHEMBL18503604 0.88 CYP11B2 (0.44) CYP11B2CYP11B1TP53LMNAGAA
SCHEMBL17713105 0.87 TP53 (0.48) TP53LMNAGAACHRM3
SCHEMBL18503600 0.87 KIF11 (0.44) CYP11B2CYP11B1TP53LMNACHRM3
SCHEMBL18503640 0.86 CYP11B2 (0.43) CYP11B2CYP11B1IDO1HCRTR1HCRTR2
SCHEMBL18503594 0.84 KIF11 (0.41) CYP11B2TP53LMNAGAACHRM3

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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — US disclosed
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — 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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 CYP11B2 2963/4885CYP11B1 3138/4885TP53 4823/4885

“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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