SCHEMBL4480439

SCHEMBL4480439

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.35
AKR1B1 P15121 1/20 0.35
CENPE Q02224 2/20 0.34
WDR5 P61964 2/20 0.34
EZH2 Q15910 1/20 0.33
MAPK1 P28482 1/20 0.33
FSCN1 Q16658 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.32
ADORA2A P29274 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
SCHEMBL4477414 0.92 PREP (0.37) AKR1B1CENPEWDR5SMN1; SMN2
SCHEMBL4489713 0.90 CCR2 (0.38) P2RX7AKR1B1WDR5EZH2FSCN1
SCHEMBL4477879 0.90 MEN1 (0.38) P2RX7AKR1B1FSCN1SMN1; SMN2
SCHEMBL31060990 0.89 AKR1B1 (0.36) AKR1B1CENPEWDR5MAPK1FSCN1
SCHEMBL4479511 0.89 AKR1B1 (0.36) AKR1B1CENPEWDR5MAPK1FSCN1
SCHEMBL4488414 0.88 AKR1B1 (0.35) AKR1B1CENPEWDR5MAPK1FSCN1
SCHEMBL4484112 0.87 LMNA (0.36) P2RX7AKR1B1SMN1; SMN2
SCHEMBL4477518 0.86 GAA (0.42) SMN1; SMN2
SCHEMBL4482091 0.86 FSCN1 (0.34) P2RX7AKR1B1WDR5FSCN1SMN1; SMN2
SCHEMBL4482140 0.84 P2RX7 (0.39) P2RX7WDR5EZH2SMN1; SMN2MAOB

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 5 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
WO-2005087767-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 P2RX7 3818/4885AKR1B1 2248/4885CENPE 3362/4885

“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.