SCHEMBL1542799

SCHEMBL1542799

COc1ccccc1-c1ccc(C(=O)NC2CCCC2C(=O)NO)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.51
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FFAR2 O15552 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ KDM1A O60341 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5898055 1.00 ADAM17 (0.51) ADAM17ALDH1A1HPGDTSHRFFAR2
SCHEMBL1542882 0.87 ADAM17 (0.56) ADAM17
SCHEMBL5898284 0.87 ADAM17 (0.56) ADAM17
SCHEMBL5898398 0.86 ADAM17 (0.51) ADAM17TAS1R3TAS1R1
SCHEMBL5898171 0.79 EZH2 (0.53) ADAM17TAS1R3TAS1R1
SCHEMBL5898241 0.73 ADAM17 (0.57) ADAM17
SCHEMBL6836251 0.73 ADAM17 (0.57) ADAM17
SCHEMBL5897966 0.72 ADAM17 (0.55) ADAM17ALDH1A1
SCHEMBL5897928 0.71 ADAM17 (0.58) ADAM17HDAC1HDAC6
SCHEMBL5898128 0.71 MMP2 (0.67) ADAM17

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
JP-2011524893-A — — 2011-09-08 — — JP claimed
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 — — EP claimed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 — — WO claimed
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 — — EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 — — US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 — — WO 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ADAM17 2409/4885ALDH1A1 172/4885HPGD 19/4885

“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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