SCHEMBL641398

SCHEMBL641398

O=[N+]([O-])c1cnccc1Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.54
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
HSPB1 P04792 1/20 0.41

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
SCHEMBL12362955 0.85 ALDH1A1 (0.58) PDE7AMAPTLMNAHTTALDH1A1
SCHEMBL9853797 0.84 ALDH1A1 (0.51) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL16295605 0.81 HPGD (0.47) PDE7ALMNAHPGDSMN1; SMN2GAA
SCHEMBL16295426 0.81 SLC6A2 (0.52) PDE7AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL618697 0.80 KMT2A (0.56) PDE7AMAPTLMNAHTTALDH1A1
SCHEMBL3578915 0.78 MEN1 (0.48) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL641410 0.78 MAPT (0.46) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL11274397 0.78 HPGD (0.69) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL5863266 0.78 PDE7A (0.82) PDE7AMAPTLMNAALDH1A1HPGD
SCHEMBL641831 0.78 HPGD (0.65) PDE7AMAPTLMNAHTTALDH1A1

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 10 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

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 3886/4885MAPT 4851/4885LMNA 3969/4885

“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.