SCHEMBL930828

SCHEMBL930828

CCCCCc1ccsc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
HTR2A P28223 1/20 0.38
TYR P14679 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL27949086 0.98 LIPG (0.42) TLR8LIPGHTR2ATYRMEN1
SCHEMBL31556605 0.98 LIPG (0.42) TLR8LIPGHTR2ATYRMEN1
SCHEMBL28681524 0.94 TLR8 (0.39) TLR8LIPGTYRMEN1TP53
Hydrochloric Acid SCHEMBL6049597 0.92 TLR8 (0.38) TLR8LIPGTYRMEN1MAPT
SCHEMBL14335441 0.85
SCHEMBL21652406 0.79 LIPG (0.41) LIPGHTR2ATYRMEN1TP53
SCHEMBL9242673 0.78 LIPG (0.44) LIPGHTR2ATYRMEN1TP53
SCHEMBL722288 0.78 LIPG (0.44) LIPGHTR2ATYRMEN1TP53
SCHEMBL12610435 0.78 LIPG (0.44) LIPGHTR2ATYRMEN1TP53
SCHEMBL14267185 0.78 LIPG (0.44) LIPGHTR2ATYRMEN1TP53

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP claimed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US claimed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US claimed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP claimed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO claimed
EP-1466015-A4 BIOCONJUGATE-NANOPARTICLE PROBES NANOSPHERE INC (US) 2007-02-28 EP claimed
EP-1466015-A2 BIOCONJUGATE-NANOPARTICLE PROBES Nanosphere, Inc. (US) 2004-10-13 EP claimed
WO-2003081202-A2 BIOCONJUGATE-NANOPARTICLE PROBES NANOSPHERE, INC. (US) 2003-10-02 WO claimed
US-20030143598-A1 Bioconjugate-nanoparticle probes NANOSPHERE, INC. 2003-07-31 US claimed
CN-113980536-B Formaldehyde absorption emulsion and preparation method and application thereof 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-113980536-A Formaldehyde absorbing emulsion and preparation method and application thereof 万华化学集团股份有限公司 2022-01-28 CN disclosed
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2019-08-01 US disclosed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed
WO-2003081202-A2 BIOCONJUGATE-NANOPARTICLE PROBES NANOSPHERE, INC. (US) 2003-10-02 WO disclosed
US-20030143598-A1 Bioconjugate-nanoparticle probes NANOSPHERE, INC. 2003-07-31 US disclosed
US-20020147190-A1 Process for preparing 6-aryl-4H-S-triazolo[3,4-c]-thieno[2,3-e]-1,4-diazepines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-10 US disclosed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 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 (5 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-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF ELANE, MPO, NISCH TLR8 515/4885LIPG 2936/4885HTR2A 4814/4885
US-20020147190-A1 Process for preparing 6-aryl-4H-S-triazolo[3,4-c]-thieno[2,3-e]-1,4-diazepines CBR1, HRH1, HRH4 TLR8 3752/4885LIPG 4809/4885HTR2A 204/4885
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS TLR8 1676/4885LIPG 3606/4885HTR2A 3769/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH TLR8 515/4885LIPG 2936/4885HTR2A 4814/4885
US-20030143598-A1 Bioconjugate-nanoparticle probes DNTT, TST, APEX1 TLR8 3906/4885LIPG 4458/4885HTR2A 4711/4885

“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.