SCHEMBL671586

SCHEMBL671586

O=Cc1c[nH]c2c(Cl)ccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
IMPDH2 P12268 1/20 0.37
PIM3 Q86V86 7/20 0.37
PIM1 P11309 5/20 0.37
PIM2 Q9P1W9 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29956106 1.00 CYP2A6 (0.41) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL29953700 0.85 CYP2A6 (0.37) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL29957429 0.85 CYP2A6 (0.37) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL671969 0.85 TRIM24 (0.47) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL29954403 0.85 ERN1 (0.42) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL3034999 0.85 CYP2A6 (0.37) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL29952089 0.85 ERN1 (0.42) CYP2A6TRIM24TRIM33IMPDH2PIM3
SCHEMBL29951137 0.81 KMT2A (0.42) TRIM24TRIM33PIM3PIM1TDP1
SCHEMBL29958363 0.81 KMT2A (0.45) TRIM24TRIM33TDP1ALDH1A1KMT2A
SCHEMBL22126572 0.73 CYP2A6 (0.50) CYP2A6IMPDH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US 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
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 CYP2A6 1930/4885TRIM24 4041/4885TRIM33 4655/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 CYP2A6 2727/4885TRIM24 4468/4885TRIM33 4709/4885

“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.