SCHEMBL673396

SCHEMBL673396

O=Cc1ccc(Cl)c2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
AHR P35869 2/20 0.38
CCR8 P51685 1/20 0.38
KMT2A Q03164 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RHEB Q15382 1/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
DYRK1A Q13627 1/20 0.32
CYP2A6 P11509 1/20 0.32
IMPDH2 P12268 1/20 0.32
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDO2 P48775 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL31260412 0.77 PIM3 (0.44) TDP1AHRCCR8KMT2ATRIM24
SCHEMBL29935605 0.77 ERN1 (0.37) TDP1CCR8KMT2ATRIM24TRIM33
SCHEMBL15652400 0.77 TRIM24 (0.56) CCR8KMT2ATRIM24TRIM33PIM1
SCHEMBL2599781 0.77 AHR (0.48) AHRCCR8KMT2ARHEBSIRT2
SCHEMBL5502059 0.76 RHEB (0.48) TDP1KMT2ARHEBALDH1A1
SCHEMBL12528115 0.73 TRIM24 (0.47) CCR8KMT2ATRIM24TRIM33PIM1
SCHEMBL12528116 0.73 DYRK1A (0.41) AHRCCR8KMT2ATRIM24TRIM33
SCHEMBL4235104 0.73 ALDH1A1 (0.43) TDP1KMT2ATRIM24TRIM33ALDH1A1
SCHEMBL670824 0.72 TRIM24 (0.64) TDP1AHRKMT2ATRIM24TRIM33
SCHEMBL31573278 0.69 AHR (0.42) TDP1AHRCCR8KMT2ARHEB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 TDP1 3984/4885AHR 1694/4885CCR8 3711/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 TDP1 3791/4885AHR 1500/4885CCR8 2928/4885

“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.