SCHEMBL16495652

SCHEMBL16495652

O=C(NCc1ccc(Br)cc1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.82
BAZ2B Q9UIF8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 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
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
LDHA P00338 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP13 P45452 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL16495657 0.91 HPGDS (1.00) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16496124 0.88 HPGDS (0.63) HPGDSL3MBTL1HDAC6HDAC1HDAC2
SCHEMBL16496250 0.87 HPGDS (0.82) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16495596 0.87 HPGDS (0.82) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16495417 0.86 HPGDS (0.61) HPGDSHDAC1EPHX2NR1H4
SCHEMBL16495648 0.86 HPGDS (0.61) HPGDSHDAC6HDAC1EPHX2NR1H4
SCHEMBL16495963 0.85 HPGDS (0.79) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16495795 0.84 HPGDS (0.77) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16495525 0.84 HPGDS (0.77) HPGDSBAZ2BL3MBTL1HDAC6HDAC1
SCHEMBL16496009 0.84 HPGDS (0.77) HPGDSBAZ2BL3MBTL1HDAC6HDAC1

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885BAZ2B 1779/4885L3MBTL1 4532/4885

“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.