SCHEMBL5518653

SCHEMBL5518653

CCc1cccc(C)c1NC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.57
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX12 P18054 1/20 0.52
PTGS2 P35354 1/20 0.51
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
CHIT1 Q13231 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1439771 0.89 CACNA1C (0.60) NLRP3HTTALDH1A1KDM4EMAPT
SCHEMBL12812272 0.87 POLB (0.65) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL20194427 0.85 NLRP3 (0.60) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL5520683 0.85 DRD2 (0.59) NLRP3HSD17B10POLBHTTMEN1
SCHEMBL6698675 0.84 NLRP3 (0.50) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL19669482 0.84 NLRP3 (0.52) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL5520049 0.84 ALDH1A1 (0.58) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL9801144 0.84 NLRP3 (0.59) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL11414687 0.83 POLB (0.61) NLRP3HSD17B10POLBSMN1; SMN2HTT
SCHEMBL12923166 0.82 POLB (0.64) NLRP3HSD17B10POLBSMN1; SMN2HTT

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (2 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 NLRP3 3098/4885HSD17B10 1087/4885POLB 4518/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 NLRP3 1501/4885HSD17B10 2130/4885POLB 3369/4885

“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.