SCHEMBL4478632

SCHEMBL4478632

CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1cccnc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NAMPT P43490 1/20 0.35
ENPP2 Q13822 1/20 0.33
HDAC1 Q13547 1/20 0.33
PARP1 P09874 2/20 0.33
FSCN1 Q16658 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PDK1 Q15118 1/20 0.32
SCD O00767 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
GRM2 Q14416 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
SCHEMBL4480319 0.91 AKR1B1 (0.35) HDAC1FSCN1
SCHEMBL4495051 0.88 MAPK14 (0.35) ALDH1A1POLB
SCHEMBL4480516 0.87 LMNA (0.35) HDAC1ALDH1A1POLB
SCHEMBL4484250 0.87 PDK1 (0.34) HDAC1PARP1PDK1
SCHEMBL4489427 0.85 AKR1B1 (0.33) HDAC1
SCHEMBL4483183 0.85 METAP2 (0.38) PDK1
SCHEMBL4483460 0.85 HDAC3 (0.35) HDAC1
SCHEMBL4490976 0.85 CENPE (0.33)
SCHEMBL4486052 0.85 METAP2 (0.35) HDAC1GPR52
SCHEMBL4484270 0.85 AKR1B1 (0.32) FSCN1

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-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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US 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 DHPS 24/4885CYP11B1 3103/4885CYP11B2 3634/4885

“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.