SCHEMBL19195265

SCHEMBL19195265

CC(=O)NCC(F)(F)c1ncc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ SSTR4 P31391 4/20 0.32
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ PTPRB P23467 1/20 0.31
▸ SETDB1 Q15047 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ CFTR P13569 1/20 0.30

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
SCHEMBL17917765 0.74 ALDH1A1 (0.35) KDM4EL3MBTL1HPGDTSHRCYP3A4
SCHEMBL13921765 0.68 NOS3 (0.48) AGBL2KDM4ENOS3NOS1NOS2
SCHEMBL22672488 0.68 SLC13A5 (0.39) AGBL2KDM4E
SCHEMBL6984523 0.65 L3MBTL1 (0.42) KDM4EL3MBTL1NOS3NOS1NOS2
SCHEMBL25680841 0.63 NPSR1 (0.44) KDM4ESETDB1
SCHEMBL3387105 0.62 SETDB1 (0.47) L3MBTL1SETDB1
SCHEMBL21031175 0.62 ALDH1A1 (0.40) KDM4EL3MBTL1SSTR4CYP3A4
SCHEMBL20483300 0.62 ADORA2A (0.46) AGBL2NOS3NOS1NOS2
SCHEMBL17315813 0.62 GRIN2B (0.39) NOS3NOS1NOS2
SCHEMBL12169342 0.62 NOS3 (0.50) KDM4ENOS3NOS1NOS2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-08-03 — — 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-20170217931-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT ACHE, COX5B, TUBB6 AGBL2 2200/4885KDM4E 2155/4885L3MBTL1 2180/4885

“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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