SCHEMBL5531089

SCHEMBL5531089

NC(=O)NC1C[C@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
KDM1A O60341 8/20 0.63
CNR1 P21554 1/20 0.55
EPHX2 P34913 4/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.53
TLR2 O60603 2/20 0.52
TLR1 Q15399 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL31018747 1.00 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL20696269 1.00 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL8294081 1.00 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL6153775 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL7980208 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL3457343 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL6154005 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL25021708 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL13794162 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1KDM1ACNR1EPHX2
SCHEMBL22293284 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1ACNR1EPHX2

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 SMN1; SMN2 1509/4885NPSR1 62/4885KDM1A 913/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 SMN1; SMN2 1477/4885NPSR1 67/4885KDM1A 1817/4885

“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.