SCHEMBL5533343

SCHEMBL5533343

NC(=O)C1(Nc2ncc3cc(F)c(F)cc3n2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.36
HDAC1 Q13547 9/20 0.36
HDAC2 Q92769 9/20 0.36
HDAC6 Q9UBN7 9/20 0.36
FPR2 P25090 2/20 0.35
SCN9A Q15858 2/20 0.35
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
OPRL1 P41146 1/20 0.33
CNR2 P34972 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL5533338 0.79 TEK (0.38) HDAC3HDAC1HDAC2HDAC6KDR
SCHEMBL6472503 0.73 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6
SCHEMBL25418572 0.70 P2RX7 (0.44) HDAC3HDAC1HDAC2HDAC6FPR2
SCHEMBL6472291 0.69 KMT2A (0.40)
SCHEMBL5533346 0.68 HSD11B1 (0.30)
SCHEMBL5533336 0.68 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL25418744 0.66 P2RX7 (0.42) HDAC3HDAC1HDAC2HDAC6FPR2
SCHEMBL5534608 0.63 ADRA2A (0.44)
SCHEMBL12288592 0.63 ROCK2 (0.40) HDAC3HDAC1HDAC2HDAC6ROCK2
SCHEMBL20959214 0.62 KMT2A (0.33) OPRL1CNR2

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 HDAC3 1287/4885HDAC1 1648/4885HDAC2 2108/4885

“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.