SCHEMBL3985393

SCHEMBL3985393

COC(=O)c1nn(Cc2ccc(F)cc2)c(=O)c2c(OC)c3n(c12)CCN(C)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FAAH O00519 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 4/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL3984050 0.86 PKM (0.36) MEN1KMT2ATMEM97SIGMAR1PDE4A
SCHEMBL3985372 0.84 PKM (0.35) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL3983975 0.84 PKM (0.36) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL3987916 0.83 PKM (0.36) MEN1KMT2ATMEM97SIGMAR1PKM
SCHEMBL3988076 0.83 PKM (0.35) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL3992828 0.82 KMT2A (0.40) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3987107 0.81 PKM (0.34) MEN1KMT2ATMEM97SIGMAR1ALDH1A1
SCHEMBL3988275 0.78 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1PKMPKLR
SCHEMBL3985497 0.77 PKM (0.37) MEN1KMT2ATMEM97SIGMAR1PKM
SCHEMBL3992325 0.76 PKM (0.30) PKMPKLR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4592/4885KMT2A 1226/4885TMEM97 2707/4885

“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.