SCHEMBL14129707

SCHEMBL14129707

O=C(Cc1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.38
HCRTR1 O43613 1/20 0.38
SCD O00767 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM1A O60341 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
LIPE Q05469 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL4328610 0.85 MAOB (0.39) HTTSIGMAR1LIPGALDH1A1DRD3
SCHEMBL4322879 0.83 DRD4 (0.42) HTTSIGMAR1LIPGDRD3KCNH2
SCHEMBL4337661 0.82 HCRTR1 (0.38) HTTSIGMAR1LIPGALDH1A1DRD3
SCHEMBL4318863 0.81 MAOB (0.41) HTTALDH1A1DRD3KCNH2KDM4E
SCHEMBL4337990 0.80 MAOB (0.41) SIGMAR1LIPGALDH1A1DRD3KCNH2
SCHEMBL4323117 0.79 MAOB (0.41) SIGMAR1LIPGALDH1A1DRD3KCNH2
SCHEMBL4321980 0.78 MAOB (0.40) SIGMAR1LIPGALDH1A1DRD3KCNH2
SCHEMBL4332594 0.78 MAOB (0.39) LIPGALDH1A1DRD3KCNH2KDM4E
SCHEMBL4328302 0.78 SIGMAR1 (0.40) HTTSIGMAR1LIPGALDH1A1DRD3
SCHEMBL4321955 0.78 DRD3 (0.43) HTTSIGMAR1LIPGALDH1A1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 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-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT HTT 3433/4885SIGMAR1 2167/4885LIPG 3538/4885

“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.