SCHEMBL3131657

SCHEMBL3131657

CCCCCCN(C)NC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.55
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GBA1 P04062 1/20 0.35
GGPS1 O95749 3/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35

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
SCHEMBL28157003 1.00 DNM1 (0.55) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL28156971 1.00 DNM1 (0.55) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL28313652 1.00 DNM1 (0.55) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL18618605 1.00 DNM1 (0.55) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL18774295 0.97
SCHEMBL2884124 0.89
SCHEMBL14204636 0.82 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL20610877 0.81 ALDH1A1 (0.61) DNM1TSHRALDH1A1KDM5AKDM4C
SCHEMBL28741216 0.78 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL11090614 0.77 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035047-A1 BINARY COMPOSITIONS COMPRISING AN NO-DONOR AND AN A-SMASE INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMAPATENTS GLOBAL LTD. (GB) 2010-04-01 WO claimed
US-20210330822-A1 FLUORESCENT PROBE FOR CYCLOOXYGENASE-2 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-10-28 US disclosed
US-10408843-B2 Compositions and methods for detecting S-nitrosylation and S-sulfinylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-09-10 US disclosed
US-20180199578-A1 Compositions and Methods to Selectively Control Invasive Species STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2018-07-19 US disclosed
US-20170192012-A1 COMPOSITIONS AND METHODS FOR DETECTING S-NITROSYLATION AND S-SULFINYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
US-20160084845-A1 COMPOSITIONS AND METHODS FOR DETECTING S-NITROSYLATION AND S-SULFINYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-03-24 US disclosed
US-9271915-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a non-cellulose-based thickening polymer, an alkaline agent and a reducing agent L'OREAL (FR) 2016-03-01 US disclosed
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-02-13 US disclosed
WO-2010035047-A1 BINARY COMPOSITIONS COMPRISING AN NO-DONOR AND AN A-SMASE INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMAPATENTS GLOBAL LTD. (GB) 2010-04-01 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 (3 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-20180199578-A1 Compositions and Methods to Selectively Control Invasive Species GUSB, ENGASE, ALPG DNM1 1228/4885TSHR 2868/4885THRB 3294/4885
US-20210330822-A1 FLUORESCENT PROBE FOR CYCLOOXYGENASE-2 PTGES2, PTGS2, HMOX2 DNM1 3402/4885TSHR 4146/4885THRB 3985/4885
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, DSG1, KLK5 DNM1 4293/4885TSHR 4702/4885THRB 4410/4885

“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.