SCHEMBL4901040

SCHEMBL4901040

NC(Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccc(Br)cc2C1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 14/20 0.78
HDAC1 Q13547 3/20 0.77
HDAC3 O15379 1/20 0.77
HDAC2 Q92769 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
DPP9 Q86TI2 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47
MC4R P32245 2/20 0.46
DPP4 P27487 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
SCHEMBL4772824 1.00 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770406 0.88 HDAC8 (0.83) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770416 0.88 HDAC8 (0.83) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4771054 0.87 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4771044 0.87 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4780016 0.87 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779058 0.87 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779066 0.87 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL29868446 0.87 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4907968 0.86 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HDAC8 16/4885HDAC1 12/4885HDAC3 4/4885

“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.