SCHEMBL16495758

SCHEMBL16495758

COc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)C3=O)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.54
▸ MCHR1 Q99705 1/20 0.46
▸ F10 P00742 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ SRC P12931 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ WNK1 Q9H4A3 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.40
▸ TPSD1 Q9BZJ3 1/20 0.40
▸ TPSG1 Q9NRR2 1/20 0.40

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
SCHEMBL16496317 0.91 HPGDS (0.56) HPGDSF10F2ROCK2SRC
SCHEMBL16496138 0.89 SRC (0.49) HPGDSMCHR1F10F2SRC
SCHEMBL16496171 0.88 HPGDS (0.53) HPGDSSRCALDH1A1HDAC1HDAC6
SCHEMBL16496114 0.84 SSTR3 (0.45) HPGDSMCHR1SRCSSTR3HDAC1
SCHEMBL16495485 0.82 SRC (0.50) HPGDSMCHR1F10SRCHDAC1
SCHEMBL16495666 0.80 HPGDS (0.55) HPGDSMCHR1SRCHDAC1HDAC6
SCHEMBL16496076 0.80 HPGDS (0.54) HPGDSMCHR1SRCHDAC1HDAC6
SCHEMBL16495915 0.80 SRC (0.51) HPGDSMCHR1SRCHDAC1HDAC6
SCHEMBL16496295 0.78 CLK4 (0.56) HPGDSROCK2CLK1DYRK1ACLK4
SCHEMBL16495829 0.75 HPGDS (0.57) HPGDSROCK2ALDH1A1

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 1073/4885MCHR1 3398/4885F10 2604/4885

“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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