SCHEMBL4949376

SCHEMBL4949376

NC(=O)c1cc(C(F)(F)F)ccc1C[CH]C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRAF P15056 1/20 0.46
RAB9A P51151 5/20 0.45
PABPC1 P11940 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
ABL1 P00519 2/20 0.44
SRC P12931 2/20 0.44
NOTUM Q6P988 1/20 0.42
SYK P43405 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4950433 0.88 CNR1 (0.50) NPC1POLBMAPTALDH1A1TSHR
SCHEMBL5185045 0.87 NPC1 (0.49) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4945840 0.83 CNR2 (0.39) TRPV1SYK
SCHEMBL4949892 0.79 CNR1 (0.49) NPC1POLBMAPTTSHRHSD17B10
SCHEMBL4945057 0.77 ALDH1A1 (0.50) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5184303 0.75 RAB9A (0.47) NPC1POLBMAPTALDH1A1TSHR
SCHEMBL5184705 0.75 NPC1 (0.51) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3958875 0.73 NPC1 (0.76) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5183675 0.72 NPSR1 (0.51) NPC1POLBMAPTALDH1A1TSHR
SCHEMBL630966 0.72 MAPT (0.53) NPC1POLBMEN1MAPTKMT2A

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 503/4885POLB 3636/4885MEN1 4742/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 NPC1 97/4885POLB 1807/4885MEN1 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.