SCHEMBL5143403

SCHEMBL5143403

CSCCSc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
MAPK1 P28482 1/20 0.75
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
FFAR1 O14842 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL27103091 0.87 ALDH1A1 (0.52) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL776647 0.87 ALDH1A1 (1.00) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL25918085 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL23051154 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL27103064 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL22755712 0.78 NPC1 (0.57) ALDH1A1MAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL5171094 0.78 ALDH1A1 (0.71) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL27103048 0.77 ALDH1A1 (0.42) ALDH1A1MAPK1MTNR1AMTNR1BMAOA
SCHEMBL575835 0.77 ALDH1A1 (0.70) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL11661294 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs PROMEGA CORPORATION (US) 2021-10-05 US disclosed
US-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-02-07 US disclosed
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 US disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 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-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS TK1, TYMP, NUDT1 ALDH1A1 2006/4885MAPK1 3885/4885MTNR1A 3783/4885
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE NDUFB7, NDUFB1, NDUFB3 ALDH1A1 638/4885MAPK1 4737/4885MTNR1A 1052/4885
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs TK1, TYMP, NUDT1 ALDH1A1 2006/4885MAPK1 3885/4885MTNR1A 3783/4885
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 ALDH1A1 985/4885MAPK1 3708/4885MTNR1A 3096/4885

“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.