SCHEMBL5019077

SCHEMBL5019077

NC(CNC(=O)OCc1ccccc1)CNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
HTT P42858 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
PLAU P00749 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SYK P43405 1/20 0.51
CTRB1 P17538 2/20 0.50
MMP2 P08253 1/20 0.50
TGM2 P21980 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49

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
SCHEMBL5969207 0.92 MMP2 (0.61) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL5969212 0.92 MMP2 (0.61) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7432423 0.91 SYK (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT
Hydrochloric Acid SCHEMBL28670951 0.90 SYK (0.55) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL15686276 0.88 LMNA (0.55) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL4549789 0.88 LMNA (0.55) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL16903401 0.88 LMNA (0.51) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL10705141 0.87 SLC1A1 (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL4431806 0.87 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL4430839 0.87 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 LMNA 3488/4885SMN1; SMN2 4857/4885SLC1A3 2094/4885

“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.