SCHEMBL4489561

SCHEMBL4489561

CCNC(=O)c1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.36
HSP90AA1 P07900 1/20 0.35
HDAC1 Q13547 8/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MAPK9 P45984 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
PTGER4 P35408 1/20 0.32
METAP2 P50579 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
SCHEMBL4480367 0.93 HDAC1 (0.35) MAPK8HSP90AA1HDAC1HDAC6
SCHEMBL4484250 0.92 PDK1 (0.34) MAPK8HDAC1HDAC6
SCHEMBL4473288 0.91 HDAC1 (0.36) MAPK8HDAC1HDAC6TP53PTGER4
SCHEMBL4489427 0.90 AKR1B1 (0.33) MAPK8HDAC1HDAC6TP53MAPT
SCHEMBL4484242 0.90 MEN1 (0.35) MAPK8HDAC1HDAC6MAPT
SCHEMBL4491822 0.90 OPRD1 (0.35) HSP90AA1TP53MAPT
SCHEMBL4486052 0.89 METAP2 (0.35) HDAC1HDAC6METAP2
SCHEMBL4480516 0.89 LMNA (0.35) HDAC1HDAC6MAPTMETAP2
SCHEMBL4480319 0.88 AKR1B1 (0.35) MAPK8HDAC1
SCHEMBL4486203 0.87 METAP2 (0.38) HDAC1HDAC6MAPTMETAP2

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 MAPK8 1433/4885HSP90AA1 2177/4885HDAC1 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.