SCHEMBL3752732

SCHEMBL3752732

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

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.78
HDAC3 O15379 16/20 0.65
NCOR2 Q9Y618 11/20 0.65
HDAC2 Q92769 10/20 0.65
HDAC8 Q9BY41 2/20 0.57
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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 0.88 HDAC1 (0.58) HDAC1HDAC3NCOR2HDAC2HDAC6
SCHEMBL15551664 0.88 HDAC1 (1.00) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL8241099 0.87 HDAC1 (0.76) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL26775744 0.86 HDAC1 (0.90) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL24972905 0.84 HDAC1 (0.85) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL3758034 0.83 PTGS1 (0.58) HDAC1HDAC3NCOR2HDAC2HDAC6
SCHEMBL3762395 0.83 HDAC1 (0.53) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL24890740 0.83 HDAC1 (0.68) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL16886014 0.82 HDAC1 (0.82) HDAC1HDAC3NCOR2HDAC2HDAC8
SCHEMBL15553332 0.82 HDAC1 (1.00) HDAC1HDAC3NCOR2HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101906076-B Naphthaline amide derivative serving as protein kinase inhibitor and histone deacetylase inhibitor and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-03-13 CN 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-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
CN-101906076-A Naphthaline amide derivative serving as protein kinase inhibitor and histone deacetylase inhibitor and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2010-12-08 CN 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 HDAC1 1/4885HDAC3 7/4885NCOR2 569/4885

“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.