SCHEMBL5018532

SCHEMBL5018532

NCCNCCC[C@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
UBE2M P61081 4/20 0.41
DCUN1D1 Q96GG9 4/20 0.41
NMT2 O60551 2/20 0.41
NMT1 P30419 2/20 0.41
MGLL Q99685 1/20 0.41
GAA P10253 1/20 0.41
CCR3 P51677 1/20 0.40
PSMB5 P28074 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
SCHEMBL5025252 0.85 EPHX2 (0.46) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL5018547 0.85 EPHX2 (0.46) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL5025248 0.83 EPHX2 (0.59) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL13365372 0.82 EPHX2 (0.45) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL13290810 0.76 ALDH1A1 (0.46) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL964298 0.76 ALDH1A1 (0.53) LMNAALDH1A1MAPTPOLBRAB9A
SCHEMBL5018594 0.74 CHRNB2 (0.54) LMNAALDH1A1MAPTRXFP1POLB
SCHEMBL5018474 0.74 PSMB5 (0.42) LMNAALDH1A1MAPTRXFP1POLB
SCHEMBL21582911 0.73 ALDH1A1 (0.54) EPHX2LMNAALDH1A1MAPTHTR1E
SCHEMBL5025250 0.72 ALDH1A1 (0.44) EPHX2LMNAALDH1A1MAPTHTR1E

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 EPHX2 3088/4885LMNA 3488/4885ALDH1A1 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.