SCHEMBL2116530

SCHEMBL2116530

CC(F)(F)CNC(=O)c1cc(-c2cccnc2)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 1/20 0.43
▸ MMP12 P39900 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL17424208 0.77 GABRA5 (0.43) KDRALDH1A1MEN1MAPTKMT2A
SCHEMBL12725677 0.76 PHGDH (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27768467 0.75 MKNK1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3433181 0.74 THRB (0.62) HDAC1HDAC6ALDH1A1MEN1MAPT
SCHEMBL2722584 0.74 MKNK1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17424214 0.73 ALDH1A1 (0.53) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL12725693 0.73 CYP1A2 (0.69) HDAC3HDAC1KDM4EALDH1A1HPGD
SCHEMBL23080998 0.69 KIF11 (0.47) ALDH1A1DYRK1AMKNK1MKNK2CYP3A4
SCHEMBL30469364 0.68 HTT (0.61) MARK3ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL12725690 0.68 HDAC3 (0.63) MARK3HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 — — US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 — — US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 — — US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 — — US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 — — US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 — — US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 — — WO 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE MARK3 3276/4885MMP12 4195/4885HDAC3 46/4885

“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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