SCHEMBL2845644

SCHEMBL2845644

CNCCCc1nc2cc(C(=O)OC)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
PKM P14618 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 4/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PSMB8 P28062 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
RHEB Q15382 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8632161 0.88 MAPT (0.55) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL7338067 0.85 MAPT (0.53) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL8906504 0.85 L3MBTL1 (0.54) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL15294555 0.85 SMN1; SMN2 (0.53) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL22533987 0.82 SMN1; SMN2 (0.55) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL4246402 0.81 SMN1; SMN2 (0.54) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL6093891 0.81 SMN1; SMN2 (0.57) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL7485743 0.81 F10 (0.52) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL3737238 0.80 SMN1; SMN2 (0.53) MAPTPKMGAASMN1; SMN2MAPK1
SCHEMBL1886254 0.80 THRB (0.46) MAPTSMN1; SMN2MAPK1POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A MAPT 1817/4885PKM 4209/4885GAA 3088/4885

“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.