SCHEMBL6324733

SCHEMBL6324733

O=C(c1ccc2c(Cl)ncnc2c1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.58
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL4150819 0.99 HPGD (0.56) HPGDGRIA3GRIA4ALDH1A1SMN1; SMN2
SCHEMBL6323082 0.96 HPGD (0.52) HPGDGRIA3GRIA4ALDH1A1SMN1; SMN2
SCHEMBL6331446 0.85 PLA2G7 (0.43) HPGDGRIA3GRIA4ALDH1A1SMN1; SMN2
SCHEMBL4150653 0.80 SMYD3 (0.66) HPGDGRIA3GRIA4ALDH1A1SMN1; SMN2
SCHEMBL6324361 0.79 PDK2 (0.43) HPGDALDH1A1SMN1; SMN2
SCHEMBL4149825 0.77 HPGD (0.51) HPGDSMN1; SMN2POLB
SCHEMBL4968804 0.76 PDE4A (0.47) HPGDALDH1A1SMN1; SMN2
SCHEMBL6332114 0.76 PDE4A (0.47) SMN1; SMN2POLB
SCHEMBL31315369 0.76 HPGD (0.56) HPGDGRIA3GRIA4ALDH1A1
SCHEMBL6843232 0.75 PDE4A (0.46) HPGDALDH1A1SMN1; 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 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 HPGD 1428/4885GRIA3 4111/4885GRIA4 4449/4885

“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.