SCHEMBL2218007

SCHEMBL2218007

CC(C)(C)[Si](OCc1cc(C(=O)O)c(F)nc1F)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.32
CYP3A4 P08684 2/20 0.31
SMYD2 Q9NRG4 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HMGB1 P09429 1/20 0.31
CXCL12 P48061 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CXCR2 P25025 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
SCHEMBL2215327 0.87 PDCD1 (0.35) CYP3A4SMYD2KDM4EHTTSMN1; SMN2
SCHEMBL3692210 0.85
SCHEMBL5872822 0.84 MRGPRX4 (0.34) MRGPRX4CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL2213824 0.81 SMYD2 (0.31) CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL1564661 0.80 HTT (0.44) MRGPRX4HTTALDH1A1
SCHEMBL2306627 0.78 MAOB (0.33) SMYD2ALDH1A1HPGDKMT2A
SCHEMBL2214318 0.77 SMYD2 (0.32) CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL34474697 0.77 MAPT (0.44) MRGPRX4CYP3A4SMYD2KDM4EHTT
SCHEMBL31725394 0.75 FOLH1 (0.37) ALDH1A1
SCHEMBL5014338 0.74 KDM4E (0.36) SMYD2KDM4ESMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX MRGPRX4 3592/4885CYP3A4 1295/4885SMYD2 4780/4885

“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.