SCHEMBL5745815

SCHEMBL5745815

CSc1cccc(Oc2ncccc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PTGER4 P35408 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK8 P45983 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 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 0.90 TDP1 (0.49) TDP1PTGER4ALDH1A1MAPK8KMT2A
SCHEMBL5755198 0.88 RAB9A (0.56) TDP1PTGER4ALDH1A1MAPK8KMT2A
SCHEMBL5752212 0.87 TDP1 (0.67) TDP1PTGER4ALDH1A1MAPK8KMT2A
SCHEMBL5749461 0.85 TDP1 (0.56) TDP1ALDH1A1MAPK8KMT2AGAA
SCHEMBL7373604 0.84 TDP1 (0.50) TDP1ALDH1A1KMT2ANPC1POLB
SCHEMBL7374241 0.82 TDP1 (0.59) TDP1ALDH1A1MAPK8KMT2AMEN1
SCHEMBL6457966 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK8KMT2AMEN1
SCHEMBL5693434 0.81 PTGER4 (0.52) PTGER4ALDH1A1KMT2AMEN1GAA
SCHEMBL7374880 0.80 MEN1 (0.63) TDP1ALDH1A1MAPK8KMT2AMEN1
SCHEMBL861902 0.80 TDP1 (0.71) TDP1ALDH1A1MAPK8KMT2AMEN1

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 8 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
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 1674/4885PTGER4 116/4885ALDH1A1 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.