SCHEMBL13778784

SCHEMBL13778784

CONC(=O)c1cc2c(C(=O)NCCCN3CCCC3=O)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 1/20 0.44
PDE5A O76074 1/20 0.44
TYRO3 Q06418 4/20 0.43
MERTK Q12866 2/20 0.43
IKBKB O14920 1/20 0.43
ABL1 P00519 1/20 0.43
INSR P06213 1/20 0.43
MET P08581 1/20 0.43
SRC P12931 1/20 0.43
MAPK1 P28482 1/20 0.43
AXL P30530 1/20 0.43
GSK3B P49841 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
RCE1 Q9Y256 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
SCHEMBL13778805 0.91 KDM4E (0.46) L3MBTL1HSD17B10KDM4EGAAALDH1A1
SCHEMBL13778789 0.89 ALDH1A1 (0.45) L3MBTL1HSD17B10KDM4EGAAALDH1A1
SCHEMBL13778782 0.82 KCNH2 (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4163667 0.80 MEN1 (0.42) MAPTPOLB
SCHEMBL4166922 0.79 MEN1 (0.40) MAPTPOLB
SCHEMBL13778783 0.78 DRD2 (0.47) ALDH1A1
SCHEMBL14542135 0.77 IKBKB (0.39) CYP2C19IKBKBMETSMN1; SMN2
SCHEMBL4806278 0.76 MEN1 (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL13778786 0.76 MMP13 (0.40) METMAPTSMN1; SMN2
SCHEMBL4166413 0.76 HCRTR1 (0.38)

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 2 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

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 L3MBTL1 1290/4885HSD17B10 209/4885KDM4E 837/4885

“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.