SCHEMBL2599736

SCHEMBL2599736

CC(C)n1cc(C=O)c2cc(Cl)cc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.40
PTPN1 P18031 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
IMPDH2 P12268 1/20 0.30

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
SCHEMBL2599740 0.86 ALDH1A1 (0.37) ERN1PTPN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL14689705 0.77 ALDH1A1 (0.40) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL672433 0.71 ALDH1A1 (0.38) ERN1PTPN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2599761 0.70 ALDH1A1 (0.33) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12182595 0.68 TDP1 (0.34) TDP1ALDH1A1SMN1; SMN2
SCHEMBL2599757 0.67 ALDH1A1 (0.33) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2599851 0.66 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2599821 0.66 TRIM24 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4808231 0.65 ERN1 (0.57) ERN1PTPN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL2599810 0.65 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ERN1 2810/4885PTPN1 2210/4885TDP1 3791/4885

“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.