SCHEMBL2681964

SCHEMBL2681964

c1ccc2c(O[Si](Oc3cccc4ccccc34)(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.48
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
KCNA3 P22001 1/20 0.46
HSD17B10 Q99714 3/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1D P28221 1/20 0.44
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3884308 0.87 HTR1B (0.43) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL5394032 0.82 TSHR (0.45) HTR1BKCNA3HTR1DTSHRSLC6A4
SCHEMBL7762993 0.82 ALDH1A1 (0.47) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL7754728 0.82 HTR1B (0.46) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL442767 0.77 HTR1B (0.54) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL29577853 0.77 HTR1B (0.54) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL4289478 0.77 HTR1B (0.59) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL15093186 0.77 HTR1B (0.47) HTR1BALDH1A1TDP1KDM4EHPGD
SCHEMBL7243364 0.77 HPRT1 (0.48) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL7237089 0.76 HTR1B (0.46) HTR1BKCNA3HTR1DTSHRSLC6A4

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-10232344-B2 Solid sorbent materials for acid-gas separation RESEARCH TRIANGLE INSTITUTE (US) 2019-03-19 US claimed
US-20170197198-A1 SOLID SORBENT MATERIALS FOR ACID-GAS SEPARATION RESEARCH TRIANGLE INSTITUTE (US) 2017-07-13 US claimed
WO-2016011032-A1 SOLID SORBENT MATERIALS FOR ACID-GAS SEPARATION RESEARCH TRIANGLE INSTITUTE (US) 2016-01-21 WO claimed
US-10232344-B2 Solid sorbent materials for acid-gas separation RESEARCH TRIANGLE INSTITUTE (US) 2019-03-19 US disclosed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20170197198-A1 SOLID SORBENT MATERIALS FOR ACID-GAS SEPARATION RESEARCH TRIANGLE INSTITUTE (US) 2017-07-13 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
WO-2016011032-A1 SOLID SORBENT MATERIALS FOR ACID-GAS SEPARATION RESEARCH TRIANGLE INSTITUTE (US) 2016-01-21 WO disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT HTR1B 2503/4885ALDH1A1 3464/4885TDP1 442/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT HTR1B 2503/4885ALDH1A1 3464/4885TDP1 442/4885

“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.