SCHEMBL2699765

SCHEMBL2699765

NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP2C19 P33261 3/20 0.52
USP2 O75604 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 3/20 0.52
HIF1A Q16665 2/20 0.52
CYP2D6 P10635 3/20 0.51
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL2701162 0.90 KMT2A (0.76) KMT2AMEN1TSHRSMN1; SMN2HDAC3
SCHEMBL2701818 0.86 KMT2A (0.65) KMT2AMEN1TSHRSMN1; SMN2CYP2C19
SCHEMBL2701896 0.83 KMT2A (0.57) KMT2AMEN1TSHRSMN1; SMN2CYP2C19
SCHEMBL2471952 0.82 KMT2A (0.53) KMT2AMEN1TSHRSMN1; SMN2HDAC3
SCHEMBL2468317 0.82 ALDH1A1 (0.80) KMT2AMEN1TSHRSMN1; SMN2HDAC3
SCHEMBL2701550 0.81 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2CYP2C19USP2
SCHEMBL2699767 0.80 HDAC3 (0.50) KMT2AMEN1TSHRSMN1; SMN2HDAC3
SCHEMBL2472117 0.78 ALDH1A1 (0.62) KMT2AMEN1TSHRSMN1; SMN2HDAC3
SCHEMBL2701832 0.78 KMT2A (0.57) KMT2AMEN1TSHRSMN1; SMN2CYP2C19
SCHEMBL2518724 0.77 ALDH1A1 (0.55) KMT2AMEN1TSHRSMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (2 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885MEN1 3501/4885TSHR 2555/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885MEN1 3501/4885TSHR 2555/4885

“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.