SCHEMBL3489652

SCHEMBL3489652

Cc1cc(-c2ccc(F)cc2)n(CC(O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.56
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
NCOR2 Q9Y618 5/20 0.56
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
SMPD1 P17405 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3488996 0.88 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3489180 0.84 HDAC3 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488136 0.81 HDAC3 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3489559 0.80 HDAC3 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488974 0.80 HDAC6 (0.71) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488989 0.79 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488548 0.78 CYP1A2 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3489229 0.78 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488183 0.78 HDAC6 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3488708 0.78 HDAC3 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 HDAC6 1944/4885HDAC3 1381/4885HDAC4 1432/4885

“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.