SCHEMBL5187917

SCHEMBL5187917

COC(=O)c1nn(CCSc2ccccc2)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL5187022 0.96 MTNR1A (0.45) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5257722 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5185693 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5185323 0.85 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5253493 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ECYP1A2RECQL
SCHEMBL5185595 0.78 PTGES (0.60) SMN1; SMN2CYP1A2KMT2ATP53GAA
SCHEMBL5254786 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4ECYP1A2RECQL
SCHEMBL5185657 0.76 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5185410 0.73 CASR (0.35) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5257291 0.73 SMN1; SMN2 (0.38) SMN1; SMN2MAPTRECQLMEN1KMT2A

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 SMN1; SMN2 4184/4885ALDH1A1 1565/4885MAPT 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