SCHEMBL4148241

SCHEMBL4148241

c1ccc(-c2nc(NC3CCNCC3)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NUDT1 P36639 1/20 0.54
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 8/20 0.49
CLK4 Q9HAZ1 5/20 0.49
CYP2D6 P10635 2/20 0.49
LMNA P02545 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 2/20 0.48
RECQL P46063 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
Hydrochloric Acid SCHEMBL5786969 0.99 MAPT (0.52) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL5788521 0.92 GAA (0.51) MAPTGAAMEN1KMT2ANUDT1
Hydrochloric Acid SCHEMBL5818569 0.91 GAA (0.50) MAPTGAAMEN1KMT2ANUDT1
Hydrochloric Acid SCHEMBL5788669 0.91 GAA (0.50) MAPTGAAMEN1KMT2ANUDT1
Hydrochloric Acid SCHEMBL5787361 0.91 GAA (0.50) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL22144608 0.90 NUDT1 (0.61) MAPTGAAMEN1KMT2ANUDT1
SCHEMBL5787545 0.83 CYP1A2 (0.47) MAPTALDH1A1CYP1A2CLK4CYP2D6
SCHEMBL13015070 0.83 CYP1A2 (0.52) MAPTALDH1A1CYP1A2CLK4CYP2D6
SCHEMBL13793565 0.83 CYP1A2 (0.56) MAPTMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3777598 0.82 CYP1A2 (0.51) MAPTALDH1A1CYP1A2CLK4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP claimed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
CN-101679308-B Inhibitors of the hedgehog pathway EXELIXIS INC 2014-05-07 CN disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
CN-101679308-A inhibitors of the hedgehog pathway EXELIXIS INC 2010-03-24 CN disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3255/4885GAA 3191/4885MEN1 208/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3269/4885GAA 3393/4885MEN1 377/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3255/4885GAA 3191/4885MEN1 208/4885

“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.