SCHEMBL641412

SCHEMBL641412

O=[N+]([O-])c1ccccc1Sc1ncccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
GAA P10253 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
PDE7A Q13946 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
HTT P42858 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 2/20 0.47
PDE10A Q9Y233 1/20 0.46
PSMD14 O00487 1/20 0.46

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
SCHEMBL1341230 0.83 PDE7A (0.69) MAPTGAANPSR1PDE7ASMN1; SMN2
SCHEMBL875772 0.82 PDE7A (0.78) MAPTGAAPDE7ASMN1; SMN2ALDH1A1
SCHEMBL31272173 0.82 PDE7A (0.78) MAPTGAAPDE7ASMN1; SMN2ALDH1A1
SCHEMBL7114205 0.80 SMN1; SMN2 (0.55) MAPTGAANPSR1PDE7ASMN1; SMN2
SCHEMBL9376025 0.79 PDE7A (0.50) MAPTGAANPSR1PDE7ASMN1; SMN2
SCHEMBL8435844 0.79 GAA (0.73) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL641092 0.77 PDE7A (0.63) MAPTGAANPSR1PDE7ASMN1; SMN2
SCHEMBL11198611 0.76 HSD17B10 (0.43) MAPTGAANPSR1SMN1; SMN2ALDH1A1
SCHEMBL57924 0.76 PDE7A (0.50) MAPTGAANPSR1PDE7ASMN1; SMN2
SCHEMBL1713219 0.76 PDE7A (0.65) MAPTGAANPSR1PDE7ASMN1; SMN2

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 MAPT 4851/4885GAA 4841/4885NPSR1 159/4885

“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.