SCHEMBL5749461

SCHEMBL5749461

CSc1ccc(Oc2ncccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.51
PDE10A Q9Y233 2/20 0.50
GAA P10253 2/20 0.50
MAPK8 P45983 2/20 0.48
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5749934 0.86 TDP1 (0.72) TDP1ALDH1A1RAB9AGAAMAPK8
SCHEMBL5745815 0.85 TDP1 (0.52) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL6457226 0.84 TDP1 (0.64) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL2781160 0.84 GAA (0.67) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL861902 0.83 TDP1 (0.71) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL11810048 0.82 PDE10A (0.60) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL8730078 0.81 TDP1 (0.65) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL11814538 0.81 TDP1 (0.57) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL2779334 0.81 RAB9A (0.76) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL2779361 0.81 KMT2A (0.65) TDP1ALDH1A1RAB9APDE10AGAA

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A TDP1 1674/4885ALDH1A1 1353/4885RAB9A 1016/4885

“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.