SCHEMBL5018356

SCHEMBL5018356

CCOc1cccc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.47
MEF2D Q14814 3/20 0.47
LTA4H P09960 1/20 0.42
MAPT P10636 2/20 0.40
METAP2 P50579 1/20 0.40
CALCRL Q16602 1/20 0.39
FURIN P09958 1/20 0.39
EP300 Q09472 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP10 P09238 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL5018352 0.94 HDAC4 (0.42) HDAC4MEF2DLTA4HMAPTCALCRL
SCHEMBL5025846 0.91 FURIN (0.40) HDAC4MEF2DLTA4HMAPTCALCRL
SCHEMBL5018582 0.91 FURIN (0.40) HDAC4MEF2DLTA4HMAPTCALCRL
SCHEMBL5018174 0.90 METAP2 (0.49) LTA4HMAPTMETAP2RAB9ALMNA
SCHEMBL5018354 0.88 CASR (0.44) HDAC4MEF2DMAPTCALCRLFURIN
SCHEMBL5018321 0.87 LNPEP (0.41) HDAC4MEF2DMAPTMETAP2LMNA
SCHEMBL5018386 0.86 EPHX1 (0.42) HTTLMNAMEN1KMT2A
SCHEMBL5018422 0.86 CHRNB2 (0.37) LTA4HMETAP2CALCRLMMP2MMP3
SCHEMBL5018357 0.86 SMN1; SMN2 (0.39) METAP2CALCRLMMP2MMP12MMP13
SCHEMBL5018615 0.86 CHRNB2 (0.38) LTA4HMETAP2CALCRLMMP2MMP3

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 HDAC4 653/4885MEF2D 4452/4885LTA4H 3098/4885

“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.