SCHEMBL6326757

SCHEMBL6326757

N=C(N)c1ccc(O)c(C(N)c2ccnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
F10 P00742 6/20 0.43
PRSS1 P07477 2/20 0.43
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GRM2 Q14416 2/20 0.39
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6331776 0.85 F10 (0.46) HPGDF10PRSS1GRM2GRIA3
SCHEMBL2998615 0.85 F10 (0.43) HPGDF10PRSS1POLBHSP90AA1
Hydrochloric Acid SCHEMBL6325008 0.77 F10 (0.40) HPGDF10PRSS1ALDH1A1MAPK1
SCHEMBL6324686 0.76 F10 (0.46) HPGDF10PRSS1POLBGRM2
Hydrochloric Acid SCHEMBL6323212 0.76 F10 (0.45) HPGDF10PRSS1POLBGRM2
SCHEMBL2991621 0.75 F10 (0.39) HPGDF10PRSS1POLBHSP90AA1
SCHEMBL2995396 0.74 F10 (0.38) HPGDF10PRSS1HSP90AA1HSP90AB1
SCHEMBL6331414 0.73 HPGD (0.45) HPGD
SCHEMBL3003536 0.72 F10 (0.41) HPGDF10PRSS1POLBALDH1A1
SCHEMBL2995351 0.72 L3MBTL1 (0.43) HPGDF10PRSS1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HPGD 1428/4885F10 11/4885PRSS1 182/4885

“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.