SCHEMBL4477414

SCHEMBL4477414

CN(C)C(=O)c1c2c(c(OCc3ccc(F)c(Cl)c3)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.37
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
MAPK14 Q16539 2/20 0.34
AKR1B1 P15121 1/20 0.34
WDR5 P61964 1/20 0.33
CENPE Q02224 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL4480439 0.92 P2RX7 (0.35) SMN1; SMN2AKR1B1WDR5CENPE
SCHEMBL31060990 0.87 AKR1B1 (0.36) AKR1B1WDR5CENPE
SCHEMBL4479511 0.87 AKR1B1 (0.36) AKR1B1WDR5CENPE
SCHEMBL4488414 0.86 AKR1B1 (0.35) AKR1B1WDR5CENPE
SCHEMBL4489713 0.82 CCR2 (0.38) LMNASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL4477879 0.81 MEN1 (0.38) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL6032525 0.81 AKR1B1 (0.32) AKR1B1WDR5CENPE
SCHEMBL4489034 0.80 AKR1B1 (0.38) MAPK14AKR1B1
SCHEMBL4501621 0.80 CENPE (0.39) AKR1B1WDR5CENPE
SCHEMBL4480852 0.79 CENPE (0.36) SMN1; SMN2AKR1B1WDR5CENPE

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 PREP 914/4885LMNA 4273/4885SMN1; 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.