SCHEMBL1608156

SCHEMBL1608156

Cc1c(C(=O)N2CCOCC2)sc2cc(O)c(O)c(C#N)c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 10/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 8/20 0.43
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL1609356 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EHPGDNPSR1TDP1
SCHEMBL1609283 0.76 GPR35 (0.56) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL1608153 0.74 HPGD (0.47) SMN1; SMN2KDM4EHPGDNPSR1TDP1
SCHEMBL17194290 0.71 KDM4E (0.53) SMN1; SMN2KDM4EHPGDNPSR1TDP1
SCHEMBL1608165 0.69 HPGD (0.62) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL1609127 0.68 SMN1; SMN2 (0.52) SMN1; SMN2HPGDNPSR1MEN1KMT2A
SCHEMBL1608806 0.68 HPGD (0.58) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL1608957 0.66 CES2 (0.55) SMN1; SMN2KDM4EHPGDNPSR1MEN1
SCHEMBL32686061 0.66 HPGD (0.56) SMN1; SMN2KDM4EHPGDALDH1A1POLB
SCHEMBL1608760 0.66 COMT (0.48) SMN1; SMN2KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 SMN1; SMN2 1281/4885KDM4E 2512/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 SMN1; SMN2 2315/4885KDM4E 594/4885HPGD 611/4885

“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.