SCHEMBL4887651

SCHEMBL4887651

CC1(C)C(=O)N(c2ccc(N3CCOCC3)c(F)c2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
MAOB P27338 6/20 0.37
MAOA P21397 2/20 0.37
LMNA P02545 2/20 0.37
PTGS1 P23219 1/20 0.37
CALML3 P27482 1/20 0.37
SDHA P31040 1/20 0.37
NPC1 O15118 2/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 2/20 0.35
KDM1A O60341 1/20 0.34
F10 P00742 1/20 0.34
GSK3B P49841 1/20 0.34
P2RX3 P56373 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4884670 0.83 IGF1R (0.34) LMNAALDH1A1GRM5TSHR
SCHEMBL5472331 0.82 PRKDC (0.34) HTTGSK3BMTOR
SCHEMBL5478685 0.82 KDM4E (0.32) HTTGSK3BMTOR
SCHEMBL3723114 0.80 SIGMAR1 (0.36) HTTLMNAHPGDALDH1A1
SCHEMBL4885935 0.77 IGF1R (0.39) HTTLMNAALDH1A1
SCHEMBL4879679 0.76 NR1H2 (0.36) HTTLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL5480183 0.76 AR (0.46) HPGDALDH1A1
SCHEMBL2940400 0.75 IGF1R (0.35)
SCHEMBL4884428 0.75 IGF1R (0.33) LMNASMN1; SMN2
SCHEMBL4890256 0.74 NAMPT (0.40) ALDH1A1

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 HTT 4402/4885MAOB 873/4885MAOA 1458/4885

“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.