SCHEMBL3783679

SCHEMBL3783679

O=C(Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.79
RAB9A P51151 5/20 0.76
NPC1 O15118 4/20 0.76
MAPT P10636 4/20 0.75
ALDH1A1 P00352 2/20 0.75
KDM4E B2RXH2 2/20 0.75
LMNA P02545 1/20 0.75
POLB P06746 1/20 0.75
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
TP53 P04637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
KCNK3 O14649 3/20 0.61
KCNK9 Q9NPC2 3/20 0.61
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
SMO Q99835 1/20 0.59

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
SCHEMBL13576533 0.88 MEN1 (0.64) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL3790049 0.87 MAPT (0.83) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL13219574 0.87 MAPT (1.00) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL30369807 0.86 NPC1 (1.00) GRM4RAB9ANPC1MAPTKDM4E
SCHEMBL4254257 0.86 NPC1 (1.00) GRM4RAB9ANPC1MAPTKDM4E
SCHEMBL6351472 0.86 GRM4 (0.62) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL6815327 0.85 ALDH1A1 (0.60) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL8804658 0.85 KDM4E (0.82) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL9362200 0.84 HDAC1 (0.68) GRM4RAB9ANPC1MAPTALDH1A1
SCHEMBL6819319 0.84 ALDH1A1 (0.59) GRM4RAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF HMOX1, HMOX2, NOD2 GRM4 2893/4885RAB9A 3460/4885NPC1 2200/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 GRM4 2608/4885RAB9A 1357/4885NPC1 724/4885

“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.