SCHEMBL16496317

SCHEMBL16496317

COc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccc(C)cc4)C3=O)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.56
▸ SRC P12931 6/20 0.51
▸ ROCK2 O75116 1/20 0.46
▸ F10 P00742 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ WNK1 Q9H4A3 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL16495758 0.91 HPGDS (0.54) HPGDSSRCROCK2F10F2
SCHEMBL16495485 0.91 SRC (0.50) HPGDSSRCF10HDAC1HDAC6
SCHEMBL16496076 0.88 HPGDS (0.54) HPGDSSRCHDAC1HDAC6TPSAB1
SCHEMBL16495584 0.83 SRC (0.53) HPGDSSRCHDAC1HDAC6
SCHEMBL16495666 0.81 HPGDS (0.55) HPGDSSRCHDAC1HDAC6
SCHEMBL16495915 0.80 SRC (0.51) HPGDSSRCHDAC1HDAC6TPSAB1
SCHEMBL16496138 0.79 SRC (0.49) HPGDSSRCF10F2HDAC1
SCHEMBL16496171 0.79 HPGDS (0.53) HPGDSSRCHDAC1HDAC6ALDH1A1
SCHEMBL16495728 0.77 HPGDS (0.59) HPGDSROCK2MAPTKDM4ETP53
SCHEMBL16495829 0.75 HPGDS (0.57) HPGDSROCK2TP53ALDH1A1HPGD

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 1073/4885SRC 4371/4885ROCK2 4683/4885

“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.

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