SCHEMBL392909

SCHEMBL392909

O=C(O)CNC(=O)OCOC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.48
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MME P08473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL390316 0.76 PAM (0.57) LMNAALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7874982 0.75 CHRM1 (0.51) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL9829411 0.74 CNR1 (0.62) KMT2ASMN1; SMN2MMECNR1CNR2
SCHEMBL14080023 0.73 KLK7 (0.49) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL11655732 0.73 CRHBP (0.53) LMNAALDH1A1KMT2AMME
SCHEMBL9189904 0.73 CHRM1 (0.57) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL27650909 0.72 MME (0.44) LMNAALDH1A1KMT2ASMN1; SMN2MME
SCHEMBL126974 0.71 HTT (0.66) LMNAALDH1A1SMN1; SMN2
SCHEMBL11783251 0.71 HTT (0.66) LMNAALDH1A1SMN1; SMN2
SCHEMBL752740 0.71 MME (0.43) ALDH1A1KMT2AMME

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-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 KLK7 4070/4885CHRM1 1512/4885CHRM3 2965/4885

“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.