SCHEMBL13539293

SCHEMBL13539293

CC(=O)c1cc(-c2ccc(F)cc2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MAPT P10636 1/20 0.49
PHGDH O43175 13/20 0.47
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
TACR3 P29371 1/20 0.43
CA12 O43570 1/20 0.43
ALPL P05186 1/20 0.43
RPA1 P27694 1/20 0.43

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
SCHEMBL1414029 0.87 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28014536 0.86 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5333233 0.86 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13078329 0.83 PHGDH (0.59) PHGDH
SCHEMBL30722849 0.83 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28123450 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5340156 0.80 FAAH (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28124044 0.78 MAPT (0.62) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28123527 0.77 KDM4E (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL17290616 0.76 MAPT (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8

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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 HDAC3 1050/4885HDAC4 773/4885HDAC1 706/4885

“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.