SCHEMBL3753090

SCHEMBL3753090

N#Cc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.68
HDAC3 O15379 9/20 0.68
HDAC2 Q92769 8/20 0.68
MAPK1 P28482 1/20 0.68
NCOR2 Q9Y618 2/20 0.65
PTGS1 P23219 1/20 0.61
MMP1 P03956 1/20 0.61
HDAC4 P56524 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL8417469 0.89 MMP1 (0.65) MMP1KMT2ANPC1RAB9AMEN1
SCHEMBL8401704 0.87 HDAC1 (0.89) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1083553 0.84 HDAC1 (0.73) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL28904178 0.84 RAB9A (0.65) MMP1KMT2ANPC1RAB9AMEN1
SCHEMBL1064052 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL10145965 0.84 HDAC3 (0.66) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL12934325 0.82 HDAC1 (0.64) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1060598 0.82 HDAC1 (0.79) HDAC1HDAC3HDAC2MAPK1NCOR2
Dinaline SCHEMBL93636 0.82 HDAC1 (0.79) HDAC1HDAC3HDAC2MAPK1NCOR2
Dinaline SCHEMBL29354254 0.82 HDAC1 (0.79) HDAC1HDAC3HDAC2MAPK1NCOR2

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-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
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP 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.