SCHEMBL18503591

SCHEMBL18503591

O=C(NCC(F)(F)c1ccc(-c2cncc(F)c2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ P2RX7 Q99572 6/20 0.38
▸ SMO Q99835 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGES O14684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL18503590 0.91 ALDH1A1 (0.40) TP53CHRM3LMNAGAAP2RX7
SCHEMBL18503611 0.91 CYP11B2 (0.42) TP53CYP11B2IDO1CHRM3LMNA
SCHEMBL16760312 0.90 TP53 (0.41) TP53CYP11B2IDO1LMNAGAA
SCHEMBL18503598 0.90 CYP11B2 (0.49) TP53CYP11B2IDO1CHRM3LMNA
SCHEMBL19566575 0.89 LMNA (0.42) TP53CHRM3LMNAGAAP2RX7
SCHEMBL17713143 0.88 TP53 (0.46) TP53CHRM3LMNAGAAP2RX7
SCHEMBL16552192 0.87 P2RX7 (0.39) TP53IDO1LMNAGAAP2RX7
SCHEMBL19566564 0.86 LMNA (0.43) TP53CHRM3LMNAGAAP2RX7
SCHEMBL18503625 0.85 CHRM3 (0.40) TP53CHRM3LMNAGAAP2RX7
SCHEMBL19566547 0.85 CHRM3 (0.45) TP53CHRM3LMNAGAAP2RX7

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 TP53 4823/4885CYP11B2 2963/4885IDO1 162/4885

“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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