SCHEMBL1554743

SCHEMBL1554743

CCOC(=O)C(C#N)=C(C)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX12 P18054 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40

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
SCHEMBL1554741 1.00 CYP19A1 (0.49) CYP19A1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11138250 0.92 MAPT (0.46) CYP19A1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11138252 0.92 MAPT (0.46) CYP19A1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL1554071 0.88 DHODH (0.44) CYP19A1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL1554070 0.88 DHODH (0.44) CYP19A1SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL4619984 0.87 ALDH1A1 (0.47) CYP19A1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL1554676 0.85 MAPT (0.47) CYP19A1SMN1; SMN2ALDH1A1GAATSHR
SCHEMBL1553412 0.85 ALDH1A1 (0.42) CYP19A1SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL2368085 0.85 MAPT (0.50) CYP19A1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL1554675 0.85 MAPT (0.47) CYP19A1SMN1; SMN2ALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
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-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 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-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO 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
US-5922716-A 5H-indeno 1,2-b!pyrazine-2,3-dione derivatives, their preparation and medicinal products containing them RHONE-POULENC RORER S.A. (FR) 1999-07-13 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 (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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE CYP19A1 3845/4885SMN1; SMN2 72/4885ALDH1A1 1591/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE CYP19A1 3845/4885SMN1; SMN2 72/4885ALDH1A1 1591/4885
US-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 CYP19A1 512/4885SMN1; SMN2 1520/4885ALDH1A1 247/4885

“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.