SCHEMBL5018362

SCHEMBL5018362

CCOc1ccc(Oc2ccccc2NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
ADRA2C P18825 1/20 0.39
KLKB1 P03952 2/20 0.39
BLM P54132 1/20 0.39
METAP2 P50579 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
LNPEP Q9UIQ6 2/20 0.38
ERAP2 Q6P179 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5018298 0.92 KMT2A (0.49) TDP1KMT2ABLMLMNAMAPT
SCHEMBL5018174 0.88 METAP2 (0.49) KMT2AMETAP2LMNAMAPTMAPK1
SCHEMBL5018386 0.88 EPHX1 (0.42) KMT2ABLMLMNALNPEPERAP2
SCHEMBL5018330 0.87 SLC1A5 (0.45) KMT2ALMNALNPEPERAP2POLB
SCHEMBL5018560 0.87 NPC1 (0.36) KMT2ALMNALNPEPERAP2POLB
SCHEMBL5018321 0.87 LNPEP (0.41) METAP2LMNAMAPTMAPK1LNPEP
SCHEMBL5018432 0.85 POLB (0.38) KMT2AADRA2CPOLBMEN1GAA
SCHEMBL5018312 0.84 LNPEP (0.41) KMT2ALNPEPERAP2POLBL3MBTL1
SCHEMBL5018356 0.84 HDAC4 (0.47) KMT2AMETAP2LMNAMAPTMAPK1
SCHEMBL5018480 0.84 KLKB1 (0.54) KMT2AKLKB1MEN1

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 TDP1 2111/4885KMT2A 3928/4885ADRA2C 4267/4885

“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.