SCHEMBL318154

SCHEMBL318154

CCCC[CH]N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.32
DNM1 Q05193 3/20 0.30

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
SCHEMBL639750 0.92 TSHR (0.42) TSHRALDH1A1THRBDNM1
SCHEMBL5145378 0.89 TSHR (0.46) TSHRLMNATHRBDNM1
SCHEMBL3120664 0.89 TSHR (0.46) TSHRLMNATHRBDNM1
SCHEMBL5648168 0.89 TSHR (0.46) TSHRLMNATHRBDNM1
SCHEMBL25378343 0.89 TSHR (0.46) TSHRLMNATHRBDNM1
SCHEMBL181617 0.81
SCHEMBL3027388 0.80 TSHR (0.39) TSHRALDH1A1LMNATHRBDNM1
SCHEMBL4534104 0.80 TSHR (0.39) TSHRALDH1A1LMNATHRBDNM1
SCHEMBL15900023 0.78 DNM1 (0.42) TSHRALDH1A1THRBDNM1
SCHEMBL3246343 0.74 TSHR (0.35) TSHRALDH1A1

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 260 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US claimed
EP-1692112-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP claimed
EP-1622878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-09 EP claimed
EP-1622883-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-04-02 EP claimed
EP-1622613-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-02 EP claimed
WO-2008032060-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERAZINYLPYRIMIDINE DERIVATIVES AS P13K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
EP-1558589-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-09 EP claimed
US-20070232597-A1 Compounds, Compositions, and Methods CYTOKINETICS, INC. 2007-10-04 US claimed
US-7271167-B2 2-(Imidazol-1-ylalkyl)-3H-quinazolin-4-one derivatives; mitotic kinesin KSP inhibitors; anticarcinogenic, antiinflammatory, and antiproliferative agents CYTOKINETICS, INC. (US) 2007-09-18 US claimed
WO-2005041888-A2 PYRIMIDIN-4-ONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-05-12 WO claimed
WO-2005013888-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-02-17 WO claimed
WO-2004103282-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-12-02 WO claimed
WO-2004091547-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC (US) 2004-10-28 WO claimed
WO-2004032879-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-22 WO claimed
EP-0433805-A1 N-Substituted 3-cyano-4-phenyl-pyrroles BAYER AG (DE) 1991-06-26 EP claimed
US-4914122-A CONTROLLING PLANT DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US claimed
EP-0327977-A1 1-Aminomethyl-3-(2,4-difluor-3-chlorphenyl)-4-cyanopyrroles BAYER AG (DE) 1989-08-16 EP claimed
EP-0327987-A1 1-Aminomethyl-3-(2-fluoro-3-chlorophenyl)-4-cyano-pyrrole derivatives BAYER AG (DE) 1989-08-16 EP claimed
EP-0281731-A2 1-Aminomethyl-3-aryl-4-cyano-pyrroles BAYER AG (DE) 1988-09-14 EP claimed

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-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 TSHR 4402/4885ALDH1A1 3816/4885LMNA 1960/4885
US-20070232597-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 TSHR 4738/4885ALDH1A1 2465/4885LMNA 422/4885

“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.