SCHEMBL9894481

SCHEMBL9894481

[NH]C(=O)n1cnc(-c2cc(F)ccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KMO O15229 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KIF11 P52732 5/20 0.33
GRIN2B Q13224 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32

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
SCHEMBL9894339 0.82 HDAC1 (0.48) HDAC1HDAC6HDAC4HDAC2HDAC11
SCHEMBL9894487 0.78 HDAC1 (0.46) CES2CES1HDAC1HDAC6GRIN2B
SCHEMBL1367804 0.67 DHODH (0.52) DHODHCES2CES1KMOKDM4A
SCHEMBL427532 0.66 HDAC6 (0.49) HDAC6LMNA
SCHEMBL31517722 0.64 CASP6 (0.43) DHODHLMNAHTTIDH1
SCHEMBL1365709 0.63 DHODH (0.46) DHODHLMNAHTT
SCHEMBL9766850 0.62 CA9 (0.52) CES2CES1SLC9A1IDH1
SCHEMBL2069893 0.61 P4HA1 (0.58) DHODHCES2CES1KMO
SCHEMBL34469857 0.60 ATM (0.38) CES2CES1KIF11LMNAKDM4A
SCHEMBL15574123 0.59 KMO (0.41) DHODHCES2CES1KMOCDC7

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-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC DHODH 998/4885CES2 74/4885CES1 237/4885

“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.