SCHEMBL1554328

SCHEMBL1554328

CCOC(=O)C(C#N)=C(C)c1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 2/20 0.52
CYP19A1 P11511 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
CTSD P07339 1/20 0.43

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
SCHEMBL1554326 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1RAB9ANPC1CYP19A1
SCHEMBL7651534 0.87 ALDH1A1 (0.48) SMN1; SMN2NPSR1RAB9ANPC1CYP19A1
SCHEMBL4543403 0.86 CTSD (0.47) SMN1; SMN2RAB9ANPC1CYP19A1MAPT
SCHEMBL1553941 0.85 GAA (0.47) SMN1; SMN2NPSR1RAB9ANPC1MAPT
SCHEMBL1553942 0.85 GAA (0.47) SMN1; SMN2NPSR1RAB9ANPC1MAPT
SCHEMBL1553436 0.82 GABRA1 (0.44) SMN1; SMN2NPSR1RAB9AMAPTMEN1
SCHEMBL1553437 0.82 GABRA1 (0.44) SMN1; SMN2NPSR1RAB9AMAPTMEN1
SCHEMBL7792874 0.81 LMNA (0.49) SMN1; SMN2RAB9ANPC1CYP19A1KMT2A
SCHEMBL3901588 0.79 GAA (0.48) SMN1; SMN2NPSR1RAB9ANPC1MAPT
SCHEMBL1553340 0.79 MAPT (0.50) SMN1; SMN2NPSR1RAB9ANPC1CYP19A1

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
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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 (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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE SMN1; SMN2 72/4885NPSR1 326/4885RAB9A 1503/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE SMN1; SMN2 72/4885NPSR1 326/4885RAB9A 1503/4885

“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.