SCHEMBL4562907

SCHEMBL4562907

CCCCCNS(=O)(=O)c1cccc(-n2cnc3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.52
ALDH1A1 P00352 3/20 0.47
ASAH1 Q13510 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4562906 0.79 RECQL (0.50) ALDH1A1ASAH1HPGDHTTRECQL
SCHEMBL17531429 0.72 HPGD (0.59) FGFR1ALDH1A1HPGDHTTLMNA
SCHEMBL366844 0.71 ALDH1A1 (0.79) ALDH1A1HTTLMNAMAPK1RECQL
SCHEMBL3417304 0.71 HTT (0.78) FGFR1HTT
SCHEMBL31014170 0.70 LMNA (0.56) ALDH1A1HTTLMNAMAPK1TSHR
SCHEMBL11706540 0.70 KMT2A (0.76) ALDH1A1HTTLMNAMAPK1TSHR
SCHEMBL10377939 0.70 TP53 (0.57) ALDH1A1PKMSMN1; SMN2
SCHEMBL29830083 0.70 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTT
SCHEMBL20202315 0.70 ALDH1A1 (0.66) ALDH1A1HPGDHTTLMNAMAPK1
SCHEMBL1279062 0.70 ALDH1A1 (0.82) ALDH1A1HTTLMNAMAPK1RECQL

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 FGFR1 4273/4885ALDH1A1 664/4885ASAH1 50/4885

“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.