SCHEMBL5485685

SCHEMBL5485685

[CH2]CC(=O)N(CC=C)CC=C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.35
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.31
ALOX12 P18054 1/20 0.31
CCR6 P51684 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMAPTDPP4
N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL362773 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL16350574 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBMAPTDPP4
N,N-Diallyl-2-Chloroacetamide SCHEMBL8953543 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTDPP4
N,N-Diallyl-2-Chloroacetamide SCHEMBL20819425 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL3305715 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL6160104 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL6160109 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTDPP4
SCHEMBL8068413 0.77 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2POLBMAPTDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-4962202-A PENICILLIN INTERMEDIATES DAIICHI SEIYAKU CO., LTD. (JP) 1990-10-09 US claimed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 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 (1 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 ALDH1A1 418/4885SMN1; SMN2 2422/4885POLB 2215/4885

“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.