SCHEMBL4186856

SCHEMBL4186856

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)NCCc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.44
SCN3A Q9NY46 1/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
HDAC3 O15379 4/20 0.42
HDAC2 Q92769 4/20 0.42
NAMPT P43490 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TRPV1 Q8NER1 5/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41

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
SCHEMBL4191003 0.91 HDAC1 (0.52) HDAC1SCN3ANPC1HDAC3HDAC2
SCHEMBL4188480 0.90 EPHX2 (0.42) HDAC1EPHX2HDAC3HDAC2NAMPT
SCHEMBL4184370 0.90 HDAC1 (0.43) HDAC1EPHX2HDAC3HDAC2TRPV1
SCHEMBL4188365 0.89 TRPV1 (0.48) HDAC1EPHX2HDAC3HDAC2TRPV1
SCHEMBL4183442 0.88 EPHX2 (0.54) HDAC1EPHX2NPC1HDAC3HDAC2
SCHEMBL4188501 0.88 HDAC1 (0.50) HDAC1NPC1HDAC3HDAC2NAMPT
SCHEMBL4178941 0.88 HDAC1 (0.49) HDAC1EPHX2HDAC3HDAC2NAMPT
SCHEMBL4184419 0.85 EPHX2 (0.46) HDAC1EPHX2HDAC3HDAC2TRPV1
SCHEMBL13653281 0.85 HDAC1 (0.48) HDAC1EPHX2HDAC3HDAC2NAMPT
SCHEMBL13653252 0.85 NPSR1 (0.57) HDAC1EPHX2NPC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 HDAC1 579/4885SCN3A 2532/4885EPHX2 3172/4885

“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.