SCHEMBL3985199

SCHEMBL3985199

CC(=O)N1CCN(c2nn(Cc3ccc(F)cc3)c(=O)c3c(O)c4n(c23)CCN(C)C4=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
GFER P55789 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GRIA1 P42261 1/20 0.35
KDM1A O60341 1/20 0.34
KCNK3 O14649 3/20 0.34
ENPP2 Q13822 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL3986546 0.91 SMN1; SMN2 (0.37) TP53SMN1; SMN2PKMPKLRALDH1A1
SCHEMBL3985474 0.88 PKM (0.34) TP53MAPTSMN1; SMN2KDM4EGAA
SCHEMBL3984969 0.83 PKM (0.38) TP53MAPTKDM4EPKMPKLR
SCHEMBL3983532 0.82 PKM (0.44) TP53MAPTKDM4EGAAPKM
SCHEMBL3982410 0.82 PKM (0.34) TP53MAPTSMN1; SMN2KDM4EPKM
SCHEMBL3983836 0.82 PKM (0.39) TP53MAPTKDM4EPKMPKLR
SCHEMBL1383893 0.81 PKM (0.37) TP53MAPTPKMPKLR
SCHEMBL3985794 0.81 PKM (0.37) TP53MAPTPKMPKLRHPGD
SCHEMBL3985497 0.81 PKM (0.37) TP53MAPTPKMPKLR
SCHEMBL3982288 0.81 PKM (0.34) TP53MAPTSMN1; SMN2KDM4EPKM

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-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP TP53 258/4885MAPT 3743/4885SMN1; SMN2 4264/4885

“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.