SCHEMBL4188480

SCHEMBL4188480

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)NCCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC3 O15379 6/20 0.41
NAMPT P43490 1/20 0.41
DHODH Q02127 2/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 1/20 0.41
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HIF1A Q16665 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CNR1 P21554 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
SCHEMBL4188677 0.91 HDAC1 (0.42) HDAC1HDAC2HDAC3TAS1R3TAS1R1
SCHEMBL4186856 0.90 HDAC1 (0.44) EPHX2HDAC1HDAC2HDAC3NAMPT
SCHEMBL4184370 0.90 HDAC1 (0.43) EPHX2HDAC1HDAC2HDAC3HDAC4
SCHEMBL13653281 0.88 HDAC1 (0.48) EPHX2HDAC1HDAC2HDAC3NAMPT
SCHEMBL4183442 0.88 EPHX2 (0.54) EPHX2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4188501 0.87 HDAC1 (0.50) HDAC1HDAC2HDAC3NAMPTTAS1R3
SCHEMBL4197887 0.87 HDAC1 (0.49) EPHX2HDAC1HDAC2HDAC3NAMPT
SCHEMBL13653257 0.85 TAS1R3 (0.56) HDAC1HDAC2HDAC3TAS1R3TAS1R1
SCHEMBL4184419 0.84 EPHX2 (0.46) EPHX2HDAC1HDAC2HDAC3DHODH
SCHEMBL4188365 0.84 TRPV1 (0.48) EPHX2HDAC1HDAC2HDAC3DHODH

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 EPHX2 3172/4885HDAC1 579/4885HDAC2 641/4885

“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.