SCHEMBL18503622

SCHEMBL18503622

O=C(NCC(F)(F)c1ccc(-c2ccc(F)nc2)cc1C(F)(F)F)c1cccnc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAPT P10636 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SUCNR1 Q9BXA5 4/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CFTR P13569 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ MARK3 P27448 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ULK1 O75385 1/20 0.33

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
SCHEMBL18503624 0.92 HDAC6 (0.44) HDAC6MAPTHCRTR1HCRTR2SUCNR1
SCHEMBL18503592 0.90 HDAC6 (0.42) HDAC6CNR2
SCHEMBL18503627 0.89 HDAC6 (0.43) HDAC6HCRTR1HCRTR2SCN9ACFTR
SCHEMBL17713159 0.89 HDAC6 (0.46) HDAC6SUCNR1TRPV1CFTRGLA
SCHEMBL18503636 0.88 HDAC6 (0.44) HDAC6HCRTR1HCRTR2SUCNR1SCN9A
SCHEMBL18503614 0.88 LMNA (0.41) SCN9ADYRK1ALMNA
SCHEMBL18503632 0.87 HDAC6 (0.44) HDAC6HCRTR1HCRTR2SUCNR1TRPV1
SCHEMBL18503620 0.87 HDAC6 (0.42) HDAC6HCRTR1HCRTR2SUCNR1TRPV1
SCHEMBL19566560 0.86 HDAC6 (0.45) HDAC6SUCNR1LMNACNR2
SCHEMBL18503621 0.84 HDAC6 (0.42) HDAC6HCRTR1HCRTR2DYRK1ACNR2

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 HDAC6 150/4885MAPT 3764/4885HCRTR1 77/4885

“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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