Sugi Predict

Sugi Predict / Compounds / SCHEMBL2599740

SCHEMBL2599740

SCHEMBL2599740

Cc1cc(Cl)cc2c(C=O)cn(C(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MPI P34949 1/20 0.36
▸ ERN1 O75460 5/20 0.34
▸ PTPN1 P18031 2/20 0.32
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ LDHA P00338 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
SCHEMBL2599736 0.86 ERN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL672433 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2599851 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2599720 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2599821 0.74 TRIM24 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6871385 0.72 POLB (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14689705 0.70 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2599757 0.69 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2599761 0.66 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL670294 0.66 CYP2A6 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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 6 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
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 ALDH1A1 1103/4885SMN1; SMN2 2690/4885MEN1 1411/4885

“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.