SCHEMBL6324686

SCHEMBL6324686

N=C(N)c1ccc(O)c(CNc2ccnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
PRSS1 P07477 3/20 0.46
HPGD P15428 5/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
F2 P00734 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 1/20 0.38
CSF1R P07333 1/20 0.37
GRM2 Q14416 2/20 0.37
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36

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
Hydrochloric Acid SCHEMBL6323212 0.99 F10 (0.45) F10PRSS1HPGDALDH1A1LMNA
SCHEMBL6331777 0.85 F10 (0.48) F10PRSS1HPGDALDH1A1LMNA
SCHEMBL2998619 0.85 F10 (0.46) F10PRSS1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6326771 0.84 F10 (0.45) F10PRSS1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6332596 0.83 HPGD (0.43) F10PRSS1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6325009 0.79 HPGD (0.43) F10PRSS1HPGDALDH1A1LMNA
SCHEMBL6323093 0.77 F10 (0.40) F10PRSS1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6325008 0.77 F10 (0.40) F10PRSS1HPGDALDH1A1CSF1R
SCHEMBL6326757 0.76 HPGD (0.46) F10PRSS1HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6324262 0.76 PDE5A (0.40) F10PRSS1HPGDALDH1A1LMNA

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 2 patents. 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
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 F10 11/4885PRSS1 182/4885HPGD 1428/4885

“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.