SCHEMBL4907173

SCHEMBL4907173

CCOC(=O)c1nccc2ccn(Cc3cccc(Cl)c3F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 6/20 0.38
KLKB1 P03952 1/20 0.37
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4905006 0.83 KLKB1 (0.36) KLKB1
SCHEMBL2947108 0.78 ALDH1A1 (0.42) GABRA1GABRA5MRGPRX4ALDH1A1MAPT
SCHEMBL1495328 0.70 BRD4 (0.60) ALDH1A1MAPTPDE4AMAPK1L3MBTL1
SCHEMBL4907168 0.70 MAPT (0.51) GABRA1GABRA5ALDH1A1MAPTTDP1
SCHEMBL14692520 0.68 PDE4B (0.46) GABRA1GABRA5ALDH1A1PDE4ANPSR1
SCHEMBL10566878 0.68 ALDH1A1 (0.52) ALDH1A1MAPTPDE4ATDP1KDM4E
SCHEMBL12584270 0.68 HSP90AA1 (0.47) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL31729726 0.67 MRGPRX4 (0.44) MRGPRX4ALDH1A1MAPTKDM4ELMNA
SCHEMBL2951231 0.67 ALDH1A1 (0.43) GABRA1GABRA5ALDH1A1MAPTTDP1
SCHEMBL10568713 0.67 ALDH1A1 (0.51) GABRA1GABRA5ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GABRA1 1997/4885GABRA5 2193/4885MRGPRX4 4779/4885

“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.