SCHEMBL3487763

SCHEMBL3487763

C1=CC[C](OCc2ccccc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 6/20 0.40
LIPE Q05469 1/20 0.40
MAOA P21397 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23066451 0.73
SCHEMBL28018292 0.70 TSHR (0.36) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL1521846 0.70 LMNA (0.37) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL4621280 0.68 ALDH1A1 (0.31) MAPT
SCHEMBL6029027 0.67 CALM1 (0.44) MAPTTSHRLMNACYP1A2MAOB
Benzylphenylether SCHEMBL28687993 0.67 CYP1A2 (0.53) L3MBTL1MAPTLMNACYP1A2PTGS1
SCHEMBL11285381 0.65 MAPT (0.50) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL6469379 0.65 TSHR (0.52) L3MBTL1MAPTMAPK1TDP1TSHR
SCHEMBL7834430 0.64 HTR1A (0.51) L3MBTL1MAPTMAPK1TDP1LMNA
SCHEMBL265584 0.64 MAPK1 (0.70) L3MBTL1MAPTMAPK1TDP1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
CN-111615513-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-01 CN disclosed
US-10696677-B2 Diaryl purine derivatives with improved bioavailability RESEARCH TRIANGLE INSTITUTE (US) 2020-06-30 US disclosed
US-20190352305-A1 DIARYL PURINE DERIVATIVES WITH IMPROVED BIOAVAILABILITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 US disclosed
WO-2019141803-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-25 WO disclosed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (6 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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 L3MBTL1 4376/4885MAPT 4529/4885MAPK1 2297/4885
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 L3MBTL1 4525/4885MAPT 1882/4885MAPK1 983/4885
US-10696677-B2 Diaryl purine derivatives with improved bioavailability CNR1, CNR2, GPR119 L3MBTL1 3623/4885MAPT 3290/4885MAPK1 1660/4885
US-20190352305-A1 DIARYL PURINE DERIVATIVES WITH IMPROVED BIOAVAILABILITY CNR1, CNR2, GPR119 L3MBTL1 3623/4885MAPT 3290/4885MAPK1 1660/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 L3MBTL1 4376/4885MAPT 4529/4885MAPK1 2297/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 L3MBTL1 4564/4885MAPT 1938/4885MAPK1 992/4885

“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.