SCHEMBL3754526

SCHEMBL3754526

NCc1ccc(C(=O)Nc2ccccc2N)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.58
HDAC3 O15379 11/20 0.58
HDAC2 Q92769 11/20 0.58
MAPK1 P28482 1/20 0.56
NCOR2 Q9Y618 3/20 0.55
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
PTGS1 P23219 1/20 0.52

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
SCHEMBL27617174 0.86 P4HTM (0.49) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL24890832 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1063809 0.82 HDAC1 (0.65) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL3745598 0.82 HDAC1 (0.64) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1233681 0.80 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1064912 0.80 MDM4 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL8235513 0.80 HDAC1 (0.61) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL13888951 0.80 HDAC1 (0.65) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL6077080 0.79 HDAC1 (0.48) HDAC1
SCHEMBL6076933 0.79 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC8

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 7/4885HDAC2 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.