SCHEMBL641434

SCHEMBL641434

Cc1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.54
S1PR4 O95977 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.47
MERTK Q12866 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 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
SCHEMBL28747580 0.87 PDE7A (0.63) PDE7ASMN1; SMN2LMNAHPGDTDP1
SCHEMBL18792997 0.84 HTR6 (0.58) SMN1; SMN2LMNATDP1TSHRCYP3A4
SCHEMBL1299058 0.82 PDE7A (0.57) PDE7ASMN1; SMN2LMNAHPGDTDP1
SCHEMBL6300840 0.81 MERTK (0.64) SMN1; SMN2LMNAHPGDTSHRCYP3A4
SCHEMBL17351244 0.81 PDE7A (0.52) PDE7AS1PR4SMN1; SMN2LMNAHPGD
SCHEMBL9657497 0.80 KMT2A (0.54) PDE7ASMN1; SMN2LMNAHPGDTDP1
SCHEMBL22925789 0.79 MEN1 (0.54) SMN1; SMN2LMNAHPGDTDP1TSHR
SCHEMBL2312409 0.79 HSPB1 (0.58) PDE7ALMNAHPGDTDP1TSHR
SCHEMBL7937740 0.79 TDP1 (0.50) PDE7AS1PR4SMN1; SMN2LMNAHPGD
SCHEMBL7862606 0.78 PDE7A (0.49) PDE7ASMN1; SMN2LMNAHPGDTDP1

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 5 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
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
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 3886/4885S1PR4 934/4885SMN1; SMN2 3948/4885

“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.