SCHEMBL5185657

SCHEMBL5185657

COC(=O)c1nn(CCSc2ccccc2)nc1CNCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ RECQL P46063 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 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
SCHEMBL5257291 0.92 SMN1; SMN2 (0.38) LMNAMAPTRECQLSMN1; SMN2L3MBTL1
SCHEMBL5185410 0.81 CASR (0.35) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5185693 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5187022 0.79 MTNR1A (0.45) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5185323 0.79 L3MBTL1 (0.41) ALDH1A1MAPTRECQLSMN1; SMN2L3MBTL1
SCHEMBL5187917 0.76 SMN1; SMN2 (0.46) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5259863 0.75 SMN1; SMN2 (0.37) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5253633 0.74 SMN1; SMN2 (0.35) LMNAMAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL5185419 0.73 LMNA (0.37) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL5255060 0.72 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2KDM4EKMT2ASDCBP

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 — — US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 — — 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS ALDH1A1 1565/4885LMNA 2806/4885MAPT 4459/4885

“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.

Send feedback