SCHEMBL4949852

SCHEMBL4949852

NC(=O)c1ccccc1-c1nnc(NC(=O)[CH]CCc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 8/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ROCK2 O75116 1/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SRC P12931 2/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SENP6 Q9GZR1 1/20 0.40
DDX3X O00571 3/20 0.40
CA2 P00918 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 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
SCHEMBL4950581 0.81 NPC1 (0.40) RAB9ANPC1ALDH1A1LMNARXFP1
SCHEMBL18584726 0.75 BCAT2 (0.61) RAB9ANPC1RXFP1SMN1; SMN2ROCK2
SCHEMBL7873448 0.73 MAPT (0.48) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL4949867 0.72 GSTO1 (0.49) RAB9ANPC1ALDH1A1LMNARXFP1
SCHEMBL4949391 0.70 SIRT2 (0.35) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1965022 0.69 BCAT2 (0.44) RAB9ANPC1RXFP1ROCK2MEN1
SCHEMBL1968944 0.68 BCAT2 (0.43) RAB9ANPC1RXFP1KDM4EROCK2
SCHEMBL4945042 0.68 SIRT2 (0.40) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL4951232 0.67 ATAD2 (0.49) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL4945624 0.67 FSCN1 (0.50) RAB9ANPC1ALDH1A1LMNASMN1; 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 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 RAB9A 534/4885NPC1 503/4885ALDH1A1 3712/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 RAB9A 463/4885NPC1 97/4885ALDH1A1 2512/4885

“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.