SCHEMBL3149481

SCHEMBL3149481

Nc1ccc(CNC(=O)[C@@H](N)Cc2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 16/20 0.57
EPHX2 P34913 1/20 0.56
MASP2 O00187 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL3154590 0.91 EPHX2 (0.47) HDAC8EPHX2MASP2
SCHEMBL3144705 0.86 MASP2 (0.49) HDAC8MASP2HDAC1
SCHEMBL3139300 0.86 MASP2 (0.47) EPHX2MASP2
SCHEMBL3144724 0.83 MASP2 (0.46) HDAC8EPHX2MASP2
SCHEMBL3153403 0.83 MASP2 (0.45) EPHX2MASP2HDAC1
Hydrochloric Acid SCHEMBL1432716 0.82 MASP2 (0.45) EPHX2MASP2HDAC1
Hydrochloric Acid SCHEMBL1432721 0.82 MASP2 (0.45) EPHX2MASP2HDAC1
SCHEMBL3140035 0.80 MASP2 (0.45) MASP2HDAC1
SCHEMBL4313109 0.79 EPHX2 (0.48) EPHX2MASP2
SCHEMBL1903414 0.78 EPHX2 (0.47) HDAC8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 HDAC8 4009/4885EPHX2 3143/4885MASP2 3039/4885

“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.