SCHEMBL4885952

SCHEMBL4885952

CC1C(=O)N(c2ccc(N(C)C)cc2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
ABCC1 P33527 1/20 0.32
APP P05067 2/20 0.32
MAPT P10636 2/20 0.32
SNCA P37840 2/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NAMPT P43490 1/20 0.31
TRIP13 Q15645 1/20 0.30
KCNH2 Q12809 1/20 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
SCHEMBL3726611 0.86 IGF1R (0.44) LMNARAB9A
SCHEMBL3734828 0.86 IGF1R (0.44) LMNARAB9A
SCHEMBL3727906 0.85 IGF1R (0.37) ALDH1A1LMNARAB9ASMN1; SMN2HPGD
SCHEMBL3727715 0.73 IGF1R (0.35)
SCHEMBL3724832 0.73 IGF1R (0.35) ALDH1A1SMN1; SMN2HPGDHTTNAMPT
SCHEMBL3732092 0.73 IGF1R (0.38) NAMPT
Trifluoroacetic Acid SCHEMBL4885943 0.69 SMO (0.50) ALDH1A1
SCHEMBL3728745 0.69 IGF1R (0.40) SMN1; SMN2HPGD
SCHEMBL4879679 0.69 NR1H2 (0.36) ALDH1A1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL5483127 0.68 KDM4E (0.36) ALDH1A1LMNAMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-24 US disclosed
EP-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors PRKAR2B, PRKG2, PRKG1 ALDH1A1 3245/4885LMNA 2251/4885RAB9A 1233/4885

“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.