SCHEMBL5186356

SCHEMBL5186356

C=CCn1cnc(C(=O)OCC)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
PDE4A P27815 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5185287 0.84 KMT2A (0.40) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL5187152 0.80 MAPT (0.41) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL29173554 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPTKDM4EGABRA1
SCHEMBL2865868 0.74 RAB9A (0.43) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL7016714 0.73 SMN1; SMN2 (0.48) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL2860627 0.71 KMT2A (0.39) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL30554012 0.70 KMT2A (0.43) KMT2AALDH1A1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL2860622 0.70 KMT2A (0.38) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL11567657 0.69 NPC1 (0.53) KMT2AALDH1A1MAPTLMNARAB9A
SCHEMBL1992837 0.68 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ELMNARAB9A

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 KMT2A 3643/4885ALDH1A1 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.