SCHEMBL5018205

SCHEMBL5018205

COc1ccc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 5/20 0.43
LMNA P02545 4/20 0.43
PKM P14618 1/20 0.43
PABPC1 P11940 4/20 0.43
KLKB1 P03952 1/20 0.41
RAB9A P51151 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 3/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
S1PR2 O95136 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL5018174 0.84 METAP2 (0.49) KMT2ANPC1LMNARAB9AMAPT
SCHEMBL5018149 0.84 PLAU (0.48) ALDH1A1NPSR1LTA4H
SCHEMBL5018184 0.83 METAP2 (0.47) KMT2AMEN1ALDH1A1LMNAROCK2
SCHEMBL5018355 0.83 METAP2 (0.40) ROCK2ROCK1
SCHEMBL5018151 0.82 LMNA (0.47) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL5018422 0.82 CHRNB2 (0.37) KLKB1ROCK2ROCK1LTA4H
SCHEMBL5018187 0.82 NPC1 (0.47) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5019102 0.82 RAB9A (0.46) KMT2AMEN1POLBNPC1LMNA
SCHEMBL5019099 0.82 SPHK1 (0.47) S1PR2S1PR4S1PR1
SCHEMBL5018201 0.82 HDAC1 (0.44) KMT2AMEN1ALDH1A1POLBNPC1

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 8 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (2 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 KMT2A 3928/4885MEN1 4473/4885ALDH1A1 4062/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 KMT2A 3928/4885MEN1 4473/4885ALDH1A1 4062/4885

“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.