SCHEMBL10042206

SCHEMBL10042206

Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4cc(Br)cnc34)[C@@H](C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GSK3B P49841 1/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 1/20 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
SCHEMBL309774 0.90 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10042205 0.89 TSHR (0.43) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10042207 0.87 CCR6 (0.44) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6411414 0.83 PDE2A (0.46) ALDH1A1
SCHEMBL309128 0.80 PDE2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6416356 0.79 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL310170 0.79 HTT (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL310204 0.77 CCR6 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13373122 0.76 TSHR (0.50) TSHRALDH1A1KMT2ALMNAPKM
SCHEMBL3770851 0.74 SPR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D TSHR 4005/4885HDAC3 1089/4885HDAC4 1574/4885

“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.