Sugi Predict

Sugi Predict / Compounds / SCHEMBL1335819

SCHEMBL1335819

SCHEMBL1335819

COc1c2c(c3n(c1=O)CCCCN(C)C3=O)CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HTT P42858 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ WDR5 P61964 6/20 0.37
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL1337786 0.89 MAOB (0.36) AKR1B1WDR5
SCHEMBL1335842 0.86 AKR1B1 (0.41) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL12580701 0.84 AKR1B1 (0.41) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL6031518 0.79 LMNA (0.47) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL1335863 0.79 MAOB (0.36) SMN1; SMN2KMT2AMEN1AKR1B1WDR5
SCHEMBL4491069 0.79 LMNA (0.45) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL2028051 0.78 WDR5 (0.35) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL6032110 0.78 LMNA (0.44) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL1338248 0.78 SIGMAR1 (0.33) TP53
SCHEMBL1338165 0.77 P2RX7 (0.35) SMN1; SMN2

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 LMNA 2654/4885SMN1; SMN2 4045/4885HTT 4776/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI LMNA 2820/4885SMN1; SMN2 4132/4885HTT 4717/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI LMNA 2820/4885SMN1; SMN2 4132/4885HTT 4717/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI LMNA 2820/4885SMN1; SMN2 4132/4885HTT 4717/4885

“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.