SCHEMBL4949860

SCHEMBL4949860

N[C@H](CCc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLS O94925 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GPR142 Q7Z601 1/20 0.47

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
SCHEMBL12890589 0.85 GLS (0.43) NPC1RAB9AMEN1KMT2AGLS
SCHEMBL1244267 0.85 GLS (0.43) NPC1RAB9AMEN1KMT2AGLS
SCHEMBL2685328 0.80 GPR142 (0.60) KDM4EGPR142
SCHEMBL2685334 0.80 GPR142 (0.60) KDM4EGPR142
SCHEMBL4949871 0.79 HDAC6 (0.66) NPC1RAB9A
SCHEMBL21225987 0.79 HDAC6 (0.66) NPC1RAB9A
SCHEMBL4950599 0.79 SMN1; SMN2 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21225986 0.79 HDAC6 (0.66) NPC1RAB9A
SCHEMBL4951239 0.78 CCNE1 (0.53) GPR142
SCHEMBL4949381 0.78 CCNE1 (0.60) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
EP-1758920-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2007-03-07 EP disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 US disclosed
WO-2005113579-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2005-12-01 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 NPC1 503/4885RAB9A 534/4885MEN1 4742/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 NPC1 97/4885RAB9A 463/4885MEN1 4525/4885

“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.