SCHEMBL5752212

SCHEMBL5752212

COC(=O)c1cccnc1Oc1cccc(SC)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
DRD1 P21728 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
PTGER4 P35408 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPK8 P45983 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8321152 0.87 TDP1 (0.49) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5745815 0.87 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL7373604 0.87 TDP1 (0.50) TDP1ALDH1A1KMT2ANPC1L3MBTL1
SCHEMBL5755198 0.86 RAB9A (0.56) TDP1DRD1ALDH1A1MEN1KMT2A
SCHEMBL5749934 0.86 TDP1 (0.72) TDP1DRD1ALDH1A1MEN1KMT2A
SCHEMBL20818012 0.81 TDP1 (1.00) TDP1ALDH1A1KMT2AMAPK8GAA
SCHEMBL3174045 0.80 TDP1 (0.67) TDP1DRD1ALDH1A1KMT2AL3MBTL1
SCHEMBL5750322 0.79 RAB9A (0.59) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9122123 0.79 TDP1 (0.66) TDP1MEN1KMT2AMAPT
SCHEMBL5753712 0.78 RAB9A (0.47) ALDH1A1MEN1KMT2ANPC1L3MBTL1

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 1674/4885DRD1 836/4885ALDH1A1 1353/4885

“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.