SCHEMBL3758034

SCHEMBL3758034

NCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.58
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 3/20 0.50
PLK1 P53350 1/20 0.49
NCOR2 Q9Y618 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL28789405 0.86 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL3752732 0.83 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL14453684 0.81 PTGS1 (0.61) PTGS1HDAC1HDAC2HDAC3RXFP1
SCHEMBL3762395 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC3PLK1NCOR2
SCHEMBL15550450 0.80 HDAC1 (0.72) PTGS1HDAC1HDAC2HDAC3NCOR2
SCHEMBL27040039 0.79 PTGS1 (0.64) PTGS1HDAC1HDAC2KMT2ARXFP1
SCHEMBL1236023 0.78 PTGS1 (0.51) PTGS1HDAC1HDAC2HDAC3NCOR2
SCHEMBL3755344 0.77 F10 (0.59) HDAC1HDAC2HDAC3PLK1HDAC6
SCHEMBL1233684 0.77 KCNQ3 (0.60) PTGS1HDAC1KMT2A
SCHEMBL211677 0.77 HDAC1 (0.76) PTGS1HDAC1HDAC2HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 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-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC5 PTGS1 803/4885HDAC1 1/4885HDAC2 2/4885

“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.