SCHEMBL13778802

SCHEMBL13778802

O=C(NO)c1cc2c(C(=O)NCCN3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PIK3CA P42336 1/20 0.47
CNR2 P34972 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
HTR3A P46098 1/20 0.46
MDM2 Q00987 1/20 0.46
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
BCL3 P20749 1/20 0.43

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
SCHEMBL13778782 0.90 KCNH2 (0.46) KCNH2HPGDTSHRPIK3CACNR2
SCHEMBL13778809 0.89 CNR2 (0.48) KCNH2HPGDTSHRPIK3CACNR2
SCHEMBL13778805 0.81 KDM4E (0.46) HPGDTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL13778799 0.78 CHRNA7 (0.40)
SCHEMBL4808337 0.78 LMNA (0.40) TSHRCNR2EPHX2SMN1; SMN2LMNA
SCHEMBL13778804 0.77 MMP13 (0.41) SMN1; SMN2
SCHEMBL13778808 0.76 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14542133 0.75 MMP13 (0.44)
SCHEMBL5255421 0.75 HDAC3 (0.46) CD274
SCHEMBL4809762 0.75 MOK (0.41) CD274ALDH1A1SMN1; SMN2

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
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP KCNH2 4089/4885HPGD 1657/4885TSHR 4819/4885

“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.