SCHEMBL18503595

SCHEMBL18503595

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.42
▸ CYP11B1 P15538 8/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ SCN2A Q99250 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ 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
SCHEMBL18503605 0.92 ALDH1A1 (0.40) ALDH1A1P2RX7CHRM3TP53LMNA
SCHEMBL18503590 0.91 ALDH1A1 (0.40) ALDH1A1P2RX7CHRM3TP53LMNA
SCHEMBL18503598 0.90 CYP11B2 (0.49) CYP11B2CYP11B1CHRM3TP53LMNA
SCHEMBL18503629 0.88 LMNA (0.41) CYP11B2CYP11B1CHRM3TP53LMNA
SCHEMBL19566549 0.88 P2RX7 (0.47) P2RX7CHRM3TP53LMNAGAA
SCHEMBL18503638 0.87 HDAC6 (0.41) CYP11B2CYP11B1ALDH1A1HCRTR1HCRTR2
SCHEMBL18503634 0.86 LMNA (0.40) CYP11B2ALDH1A1P2RX7CHRM3TP53
SCHEMBL18503604 0.86 CYP11B2 (0.44) CYP11B2CYP11B1CHRM3TP53LMNA
SCHEMBL18503596 0.86 CYP11B2 (0.60) CYP11B2CYP11B1TP53HCRTR1HCRTR2
SCHEMBL18503606 0.85 KCNQ3 (0.45) CYP11B2CYP11B1ALDH1A1P2RX7CHRM3

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 3138/4885ALDH1A1 1603/4885

“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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