SCHEMBL5018538

SCHEMBL5018538

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
S1PR1 P21453 3/20 0.37
SCN9A Q15858 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
PSMB5 P28074 2/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL5018420 0.85 S1PR2 (0.37) KMT2AMEN1LMNAS1PR1EPHX2
SCHEMBL5018339 0.84 SMN1; SMN2 (0.50) KMT2AMEN1LMNASMN1; SMN2S1PR1
SCHEMBL5018151 0.82 LMNA (0.47) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL5018269 0.82 RAB9A (0.41) LMNASCN9AEPHX2L3MBTL1
SCHEMBL5018305 0.81 FPR2 (0.44) KMT2AMEN1SMN1; SMN2PSMB5EPHX2
SCHEMBL5018450 0.80 S1PR1 (0.43) S1PR1EPHX2
SCHEMBL5018189 0.80 PSMB5 (0.46) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL5018552 0.80 S1PR1 (0.42) KMT2AMEN1LMNAPOLBS1PR1
SCHEMBL5018479 0.80 ROCK2 (0.38) S1PR1EPHX2
SCHEMBL5018205 0.79 KMT2A (0.46) KMT2AMEN1LMNAPOLBSMN1; SMN2

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 KMT2A 3928/4885MEN1 4473/4885LMNA 3488/4885

“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.