SCHEMBL176108

SCHEMBL176108

OC(=S)NCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.70
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
MMP9 P14780 1/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
MAPT P10636 3/20 0.67
LMNA P02545 2/20 0.67
CYP1A2 P05177 1/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
BLM P54132 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPK1 P28482 1/20 0.65
AANAT Q16613 1/20 0.63
FAAH O00519 1/20 0.63
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
ALOX12 P18054 1/20 0.62

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
SCHEMBL14700058 0.86 IDO1 (0.68) IDO1MEN1KMT2AMMP9NPC1
SCHEMBL6028397 0.86 IDO1 (0.68) IDO1MEN1KMT2AMMP9NPC1
SCHEMBL12049633 0.85 MEN1 (0.76) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL6394942 0.84 MEN1 (0.76) MEN1KMT2AMMP9NPC1RAB9A
SCHEMBL1520004 0.84 MEN1 (0.81) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL5625480 0.84 IDO1 (0.69) IDO1MEN1KMT2AMAPTLMNA
SCHEMBL1520003 0.82 IDO1 (0.76) IDO1MEN1KMT2AMMP9NPC1
SCHEMBL173465 0.82 MAPT (0.68) IDO1MEN1KMT2AMAPTLMNA
SCHEMBL29507373 0.82 IDO1 (0.67) IDO1MEN1KMT2AMMP9NPC1
Methyl Tryptaminedithiocarbamate SCHEMBL2791255 0.82 IDO1 (1.00) IDO1MEN1KMT2AMMP9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918473-B2 Use of aryl carbamates in agriculture and other plant-related areas North Carolian State University (US) 2018-03-20 US disclosed
US-20160353739-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS UNIV NORTH CAROLINA STATE (US) 2016-12-08 US disclosed
US-9439436-B2 Use of aryl carbamates in agriculture and other plant-related areas NORTH CAROLINA STATE UNIVERSITY (US) 2016-09-13 US disclosed
US-20150327552-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS UNIV NORTH CAROLINA STATE (US) 2015-11-19 US disclosed
US-9125408-B2 Use of aryl carbamates in agriculture and other plant-related areas NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-08 US disclosed
US-8884022-B2 Inhibition of bacterial biofilms with aryl carbamates NORTH CAROLINA STATE UNIVERSITY (US) 2014-11-11 US disclosed
US-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS NORTH CAROLINA STATE UNIVERSITY 2013-07-04 US disclosed
US-20130123225-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES NORTH CAROLINA STATE UNIVERSITY 2013-05-16 US disclosed
WO-2012030986-A2 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS NORTH CAROLINA STATE UNIVERSITY (US) 2012-03-08 WO disclosed
WO-2012006276-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-12 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 (4 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-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT IDO1 316/4885MEN1 4199/4885KMT2A 522/4885
US-20160353739-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT IDO1 316/4885MEN1 4199/4885KMT2A 522/4885
US-20130123225-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES PGLS, BLVRB, AADAC IDO1 558/4885MEN1 4574/4885KMT2A 702/4885
US-20150327552-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT IDO1 316/4885MEN1 4199/4885KMT2A 522/4885

“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.