SCHEMBL4562906

SCHEMBL4562906

CCCCCNS(=O)(=O)c1ccccc1-n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
ASAH1 Q13510 1/20 0.47
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1I2 O75469 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP4Z1 Q86W10 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4562907 0.79 FGFR1 (0.52) RECQLASAH1MEN1TSHRKMT2A
SCHEMBL8398489 0.71 HPGD (0.63) TP53TDP1HTTPOLBALDH1A1
SCHEMBL10695577 0.70 HTT (0.49) ASAH1MEN1KMT2ACYP3A4NR1I2
SCHEMBL635207 0.70 RECQL (0.68) RECQLCA12CA9MEN1TSHR
SCHEMBL3261681 0.70 RECQL (0.63) RECQLCA12CA9MEN1TSHR
SCHEMBL7103283 0.69 RECQL (0.70) RECQLCA12CA9MEN1TSHR
SCHEMBL633647 0.69 RECQL (0.70) RECQLCA12CA9MEN1TSHR
SCHEMBL634179 0.69 RECQL (0.70) RECQLCA12CA9MEN1TSHR
SCHEMBL8355313 0.69 RECQL (0.70) RECQLCA12CA9MEN1TSHR
SCHEMBL7111715 0.69 CA12 (0.67) RECQLCA12CA9MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER INC. 2009-04-30 US disclosed
EP-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP disclosed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 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-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A RECQL 901/4885CA12 3770/4885CA9 1017/4885

“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.