SCHEMBL4482091

SCHEMBL4482091

COc1c2c(c(C(=O)NNC(C)=O)n(C)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.34
P2RX7 Q99572 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
AKR1B1 P15121 1/20 0.33
PREP P48147 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
WDR5 P61964 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDPK1 O15530 1/20 0.32
SCD O00767 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
SCHEMBL4477879 0.89 MEN1 (0.38) FSCN1P2RX7SMN1; SMN2MAPTAKR1B1
SCHEMBL4489713 0.88 CCR2 (0.38) FSCN1P2RX7SMN1; SMN2AKR1B1WDR5
SCHEMBL4480439 0.86 P2RX7 (0.35) FSCN1P2RX7SMN1; SMN2AKR1B1WDR5
SCHEMBL4482140 0.82 P2RX7 (0.39) P2RX7SMN1; SMN2ALDH1A1HTTWDR5
SCHEMBL4478160 0.81 MEN1 (0.39) FSCN1P2RX7SMN1; SMN2MAPTAKR1B1
SCHEMBL5446552 0.81 POLB (0.38) FSCN1AKR1B1WDR5HDAC1HDAC6
SCHEMBL4486261 0.81 P2RX7 (0.37) P2RX7SMN1; SMN2ALDH1A1HTTWDR5
SCHEMBL6032250 0.80 ALDH1A1 (0.35) FSCN1P2RX7SMN1; SMN2MAPTALDH1A1
SCHEMBL4479378 0.80 EZH2 (0.37) P2RX7SMN1; SMN2ALDH1A1HTTWDR5
SCHEMBL13672787 0.80 AKR1B1 (0.38) FSCN1SMN1; SMN2AKR1B1PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 FSCN1 4613/4885P2RX7 3818/4885SMN1; SMN2 4492/4885

“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.