SCHEMBL3586286

SCHEMBL3586286

CNc1ncccc1C(=O)NCc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
MT-CO2 P00403 1/20 0.49
KMT2A Q03164 3/20 0.48
PDPK1 O15530 2/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDR P35968 1/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BDKRB1 P46663 1/20 0.45
NSD2 O96028 1/20 0.44

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
SCHEMBL3582620 0.83 HDAC6 (0.55) HDAC6KMT2APDPK1KDM4EHPGD
SCHEMBL3576770 0.83 MT-CO2 (0.49) HDAC6MT-CO2KMT2AMAPTMEN1
SCHEMBL3576350 0.77 KDM4C (0.47) HDAC6KMT2AMAPTALDH1A1LMNA
SCHEMBL3571438 0.75 HPGD (0.64) HDAC6KMT2AMAPTKDM4EHPGD
SCHEMBL3576343 0.74 HDAC1 (0.52) HDAC6LMNASMN1; SMN2
SCHEMBL27863532 0.74 CHIA (0.53) KMT2AMAPTMEN1KDM4ENPSR1
SCHEMBL16676654 0.73 LMNA (0.55) KMT2AMAPTMEN1KDM4ENPSR1
SCHEMBL3572770 0.73 TSHR (0.66) HDAC6KMT2AMAPTMEN1HPGD
SCHEMBL3576438 0.73 KDM4E (0.49) HDAC6MT-CO2KMT2AMEN1KDM4E
SCHEMBL3580598 0.73 MT-CO2 (0.47) MT-CO2KMT2AMEN1KDM4EHPGD

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC HDAC6 1130/4885MT-CO2 858/4885KMT2A 341/4885

“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.