SCHEMBL5530927

SCHEMBL5530927

NC(=O)Nc1cc(F)cc2c1OCOC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CXCR5 P32302 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
PARP1 P09874 4/20 0.40
F11 P03951 1/20 0.39
APEX1 P27695 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 2/20 0.33
LTC4S Q16873 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL15224202 0.83 MAPK8 (0.45) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL15224203 0.80 ALDH1A1 (0.44) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL17685113 0.79 ALDH1A1 (0.46) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL4638491 0.79 PARP1 (0.65) MAPK8ALDH1A1KDM4ECXCR5TDP1
Hydrochloric Acid SCHEMBL2460794 0.77 ALDH1A1 (0.44) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL4115639 0.77 EPHX2 (0.52) MAPK8ALDH1A1KDM4ECXCR5
SCHEMBL10222763 0.76 KDM4E (0.53) MAPK8ALDH1A1KDM4ECXCR5RAB9A
SCHEMBL31258843 0.74 ALDH1A1 (0.60) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL1525798 0.73 ALDH1A1 (0.49) MAPK8ALDH1A1KDM4ECXCR5TDP1
SCHEMBL15377464 0.73 ALDH1A1 (0.44) MAPK8ALDH1A1KDM4ECXCR5TDP1

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPK8 3085/4885ALDH1A1 2069/4885KDM4E 1012/4885

“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.