SCHEMBL4489236

SCHEMBL4489236

CN(c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
AKR1B1 P15121 1/20 0.33
MAPK1 P28482 1/20 0.33
WDR5 P61964 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
PARP1 P09874 1/20 0.32
MAOB P27338 1/20 0.32
DGAT1 O75907 1/20 0.32
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL4477322 0.92 AKR1B1 (0.33) KMT2AAKR1B1MAPK1WDR5HTR2A
SCHEMBL14441029 0.90 AKR1B1 (0.36) AKR1B1MAPK1WDR5HTR2AGRM2
SCHEMBL4484973 0.88 P2RX7 (0.33) ALDH1A1MAPK1WDR5HTR2AGRM2
SCHEMBL4491562 0.88 PTGS1 (0.34) ALDH1A1KMT2AAKR1B1WDR5MAPT
SCHEMBL4489225 0.86 AKR1B1 (0.35) AKR1B1MAPK1WDR5HTR2AGRM2
SCHEMBL13672800 0.83 WDR5 (0.38) KMT2AAKR1B1WDR5HTR2AGRM2
SCHEMBL4484082 0.82 AKR1B1 (0.37) AKR1B1WDR5HTR2AGRM2MAOB
SCHEMBL4479511 0.82 AKR1B1 (0.36) AKR1B1MAPK1WDR5HTR2AGRM2
SCHEMBL31060990 0.82 AKR1B1 (0.36) AKR1B1MAPK1WDR5HTR2AGRM2
SCHEMBL4489696 0.82 EZH2 (0.37) AKR1B1WDR5HTR2AGRM2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H ALDH1A1 1500/4885KMT2A 1470/4885AKR1B1 2248/4885

“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.