Sugi Predict

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SCHEMBL1337827

SCHEMBL1337827

COc1c2c(c3n(c1=O)CCCCN(CCOCc1ccccc1)C3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 6/20 0.37
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CLPP Q16740 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL1335863 0.87 MAOB (0.36) SMN1; SMN2MAOBADORA2AP2RX7
SCHEMBL1338285 0.87 MAOB (0.34) MAOBADORA2AP2RX7
SCHEMBL1337786 0.85 MAOB (0.36) MAOBADORA2AP2RX7
SCHEMBL1337557 0.85 P2RX7 (0.34) MAOBADORA2AP2RX7
SCHEMBL1338165 0.85 P2RX7 (0.35) SMN1; SMN2MAOBADORA2AP2RX7
SCHEMBL2027046 0.85 AKR1B1 (0.43) SMN1; SMN2ALDH1A1MAPTMAOBADORA2A
SCHEMBL3491744 0.81 AKR1B1 (0.35) MAOBADORA2AP2RX7
SCHEMBL15096272 0.80 AKR1B1 (0.35) LMNASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL4793599 0.79 PREP (0.34) SMN1; SMN2ALDH1A1HTTMAOBADORA2A
SCHEMBL3491193 0.79 MAOB (0.32) ALDH1A1HTTMAOBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 — — EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 — — US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 — — US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 — — US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 — — US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 — — US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 — — US 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 (4 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H PKM 2492/4885LMNA 2654/4885SMN1; SMN2 4045/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI PKM 2753/4885LMNA 2820/4885SMN1; SMN2 4132/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI PKM 2753/4885LMNA 2820/4885SMN1; SMN2 4132/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI PKM 2753/4885LMNA 2820/4885SMN1; SMN2 4132/4885

“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.