SCHEMBL4486052

SCHEMBL4486052

CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1ccc(C(N)=O)cc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
GPR52 Q9Y2T5 1/20 0.33
HDAC1 Q13547 8/20 0.32
AKR1B1 P15121 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL4484250 0.94 PDK1 (0.34) HDAC1AKR1B1HDAC6
SCHEMBL4489427 0.93 AKR1B1 (0.33) HDAC1AKR1B1HDAC6
SCHEMBL4480516 0.91 LMNA (0.35) METAP2HDAC1AKR1B1HDAC6
SCHEMBL4480367 0.91 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL4484242 0.91 MEN1 (0.35) HDAC1HDAC6
SCHEMBL4491822 0.91 OPRD1 (0.35) OPRM1OPRD1
SCHEMBL4480319 0.90 AKR1B1 (0.35) HDAC1AKR1B1
SCHEMBL4489561 0.89 MAPK8 (0.36) METAP2HDAC1HDAC6
SCHEMBL4500232 0.89 CA2 (0.34) AKR1B1
SCHEMBL4487534 0.89 AKR1B1 (0.32) AKR1B1

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 METAP2 3556/4885GPR52 3479/4885HDAC1 857/4885

“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.