SCHEMBL1337231

SCHEMBL1337231

CCOC(=O)c1c2c(c(O)c[n+]1[O-])C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
WDR5 P61964 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6031443 0.92 MEN1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4492303 0.89 LMNA (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6032283 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4479139 0.86 AKR1B1 (0.35) MEN1KMT2ASMN1; SMN2AKR1B1WDR5
SCHEMBL1336916 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4477958 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL5821665 0.79 GRIN2B (0.33) AKR1B1
SCHEMBL4939209 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4473406 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4484368 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 12 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-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 EP disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 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 (5 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 MEN1 3932/4885KMT2A 1009/4885ALDH1A1 1901/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885ALDH1A1 1837/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885ALDH1A1 1837/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MEN1 4754/4885KMT2A 1470/4885ALDH1A1 1500/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885ALDH1A1 1837/4885

“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.