SCHEMBL4150819

SCHEMBL4150819

O=C(c1ccc2c(Cl)ncnc2c1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.56
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6324733 0.99 HPGD (0.58) HPGDGRIA3GRIA4POLBALDH1A1
SCHEMBL6323082 0.97 HPGD (0.52) HPGDGRIA3GRIA4POLBALDH1A1
SCHEMBL6331446 0.86 PLA2G7 (0.43) HPGDGRIA3GRIA4ALDH1A1SMN1; SMN2
SCHEMBL4150653 0.81 SMYD3 (0.66) HPGDGRIA3GRIA4POLBALDH1A1
SCHEMBL6324361 0.80 PDK2 (0.43) HPGDALDH1A1SMN1; SMN2
SCHEMBL4149825 0.78 HPGD (0.51) HPGDPOLBSMN1; SMN2
SCHEMBL4968804 0.77 PDE4A (0.47) HPGDALDH1A1SMN1; SMN2
SCHEMBL6332114 0.77 PDE4A (0.47) POLBSMN1; SMN2
SCHEMBL6843232 0.76 PDE4A (0.46) HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6332115 0.76 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050095190-A1 Regeneration of calcium oxide or calcium carbonate from waste calcium sulphide HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES. (CA) 2005-05-05 US claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
US-20050095190-A1 Regeneration of calcium oxide or calcium carbonate from waste calcium sulphide HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATURAL RESOURCES. (CA) 2005-05-05 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
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (3 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
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 HPGD 1434/4885GRIA3 2530/4885GRIA4 3535/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HPGD 1517/4885GRIA3 1503/4885GRIA4 3142/4885

“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.