SCHEMBL1543301

SCHEMBL1543301

COC(=O)c1ccc(-c2cc(F)ccc2OC(=O)c2ccc(-c3cc(F)ccc3O)nc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MAPK1 P28482 3/20 0.41
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GABRA5 P31644 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL1543130 0.92 MAPK1 (0.48) MAPTMAPK1KDM1AHDAC1HDAC6
SCHEMBL1543299 0.87 KDM4E (0.48) MAPTMAPK1KDM1AHDAC1HDAC6
SCHEMBL4391264 0.81 KMT2A (0.47) MAPTMAPK1KDM1AHDAC1KMT2A
SCHEMBL1543497 0.76 P4HA1 (0.56) MAPTKDM1AHDAC1HDAC6HDAC5
SCHEMBL2071112 0.73 MAPK1 (0.53) MAPTMAPK1KDM1ACA12CA1
SCHEMBL1966802 0.72 NPC1 (0.67) MAPTMAPK1GABRA5KMT2AMEN1
SCHEMBL5934041 0.71 ALDH1A1 (0.52) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29651074 0.71 MAPK1 (0.69) MAPTMAPK1CA12CA1CA2
SCHEMBL29651058 0.71 MAPK1 (0.69) MAPTMAPK1CA12CA1CA2
SCHEMBL70712 0.71 MAPK1 (0.69) MAPTMAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MAPT 1518/4885MAPK1 1907/4885KDM1A 2951/4885

“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.