SCHEMBL16620097

SCHEMBL16620097

O=C(O)NCCc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MITF O75030 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CNR1 P21554 10/20 0.55
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NOD2 Q9HC29 1/20 0.53
PRMT1 Q99873 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RNF4 P78317 1/20 0.51
KDM1A O60341 1/20 0.48
POLB P06746 1/20 0.46
FPR2 P25090 1/20 0.46

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
SCHEMBL19876843 0.85 CNR1 (0.50) NPC1RAB9AHTTSMN1; SMN2CNR1
SCHEMBL8868001 0.81 NPC1 (0.58) NPC1RAB9AMITFALDH1A1HTT
SCHEMBL6708022 0.80 L3MBTL1 (0.49) NPC1RAB9ASMN1; SMN2CNR1KDM4E
SCHEMBL9081388 0.80 NPC1 (0.76) NPC1RAB9AMITFALDH1A1HTT
SCHEMBL10616270 0.79 POLB (0.57) NPC1RAB9AMITFALDH1A1HTT
SCHEMBL23928112 0.79 RAB9A (0.61) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11128513 0.78 NPC1 (0.63) NPC1RAB9AMITFALDH1A1HTT
SCHEMBL16626939 0.78 NAMPT (0.61) NPC1RAB9AMITFALDH1A1HTT
SCHEMBL19876845 0.78 CA2 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2CNR1
SCHEMBL23928218 0.78 NPC1 (0.60) NPC1RAB9AALDH1A1HTTMEN1

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-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety Universitetet | Oslo (NO) 2019-03-12 US disclosed
EP-3052135-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US disclosed
EP-3052135-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY Universitetet I Oslo (NO) 2016-08-10 EP disclosed
WO-2015049546-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIVERSITETET I OSLO (NO) 2015-04-09 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-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety SLC30A6, DDO, SLC30A7 NPC1 764/4885RAB9A 2718/4885MITF 3459/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 NPC1 764/4885RAB9A 2718/4885MITF 3459/4885

“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.