SCHEMBL170487

SCHEMBL170487

OC(=S)NCCc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.53

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
Methane SCHEMBL9753821 0.92 RAB9A (0.56) RAB9ASMN1; SMN2KDM4EHTTHRH3
SCHEMBL30060335 0.84 CA1 (0.58) RAB9ASMN1; SMN2KDM4EHTTHRH3
SCHEMBL525602 0.84 CA1 (0.58) RAB9ASMN1; SMN2KDM4EHTTHRH3
SCHEMBL12049597 0.83 RAB9A (0.69) RAB9ASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL7845148 0.82 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL1694984 0.82 RAB9A (0.62) RAB9ASMN1; SMN2HTTHRH3ALDH1A1
SCHEMBL11338235 0.81 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6213313 0.81 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2KDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL7603529 0.81 RAB9A (0.61) RAB9ASMN1; SMN2HTTHRH3ALDH1A1
SCHEMBL159773 0.80 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2KDM4EHTTHRH3

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 RAB9A 1963/4885SMN1; SMN2 4442/4885KDM4E 191/4885
US-20160353739-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT RAB9A 1963/4885SMN1; SMN2 4442/4885KDM4E 191/4885
US-20130123225-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES PGLS, BLVRB, AADAC RAB9A 1199/4885SMN1; SMN2 4883/4885KDM4E 88/4885
US-20150327552-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT RAB9A 1963/4885SMN1; SMN2 4442/4885KDM4E 191/4885

“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.