SCHEMBL641092

SCHEMBL641092

O=[N+]([O-])c1ccccc1Sc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.63
PDE7B Q9NP56 3/20 0.63
PDE4B Q07343 2/20 0.63
PDE4D Q08499 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL30338244 0.85 PDE7A (0.65) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL1713219 0.85 PDE7A (0.65) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL31272173 0.81 PDE7A (0.78) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL875772 0.81 PDE7A (0.78) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL19041386 0.81 PDE7A (0.69) PDE7APDE7BPDE4BPDE4DSMN1; SMN2
SCHEMBL16702465 0.80 PDE7A (0.55) PDE7APDE7BPDE4BPDE4DSMN1; SMN2
SCHEMBL10923003 0.79 PDE7A (0.65) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL11760310 0.79 PDE7A (0.56) PDE7APDE7BSMN1; SMN2MAPTALDH1A1
SCHEMBL7665295 0.79 PDE7A (0.67) PDE7APDE7BPDE4BPDE4DSMN1; SMN2
SCHEMBL8881808 0.79 MAPT (0.58) PDE7APDE7BSMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 PDE7A 3886/4885PDE7B 4073/4885PDE4B 4694/4885

“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.