SCHEMBL1554064

SCHEMBL1554064

CCOC(=O)C(C#N)=C(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GPR35 Q9HC97 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
MIF P14174 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 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
SCHEMBL1554063 1.00 HPGD (0.44) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL11138250 0.85 MAPT (0.46) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL11138252 0.85 MAPT (0.46) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL1554743 0.85 CYP19A1 (0.49) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL1554741 0.85 CYP19A1 (0.49) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2368631 0.83 HPGD (0.46) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2368634 0.83 HPGD (0.46) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL1554668 0.83 MAPT (0.43) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1554666 0.83 MAPT (0.43) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1554070 0.81 DHODH (0.44) HPGDTSHRALDH1A1SMN1; SMN2MAPT

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 HPGD 726/4885TSHR 3386/4885ALDH1A1 1591/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE HPGD 726/4885TSHR 3386/4885ALDH1A1 1591/4885

“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.