SCHEMBL13653256

SCHEMBL13653256

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NC(=O)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.50
TRPV1 Q8NER1 6/20 0.48
KMT2A Q03164 2/20 0.47
KDM1A O60341 1/20 0.47
HDAC2 Q92769 5/20 0.46
HDAC3 O15379 4/20 0.46
NCOR2 Q9Y618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 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
SCHEMBL4190602 0.92 HDAC1 (0.54) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4185425 0.91 KMT2A (0.58) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4188146 0.90 LMNA (0.54) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4195670 0.90 HDAC1 (0.50) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4197796 0.90 HDAC3 (0.50) HDAC1TRPV1HDAC2HDAC3NCOR2
SCHEMBL13653252 0.89 NPSR1 (0.57) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4182629 0.89 HDAC1 (0.46) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4193715 0.89 KMT2A (0.48) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4193646 0.88 ALDH1A1 (0.48) HDAC1TRPV1KMT2AHDAC2HDAC3
SCHEMBL4184489 0.88 HDAC1 (0.59) HDAC1TRPV1KMT2AHDAC2HDAC3

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-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 579/4885TRPV1 2361/4885KMT2A 1662/4885

“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.