SCHEMBL4854784

SCHEMBL4854784

NC(=Nc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
SLC22A3 O75751 1/20 0.53
PLAU P00749 1/20 0.53
NOS1 P29475 3/20 0.52
NOS3 P29474 2/20 0.52
LTA4H P09960 1/20 0.48
PLG P00747 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL4861785 0.81 CYP2D6 (0.62) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4862359 0.81 MEN1 (0.73) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4856204 0.80 KMT2A (0.48) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4858634 0.77 ALDH1A1 (0.50) NOS1NOS3PLGKMT2AMEN1
SCHEMBL5594422 0.75 MAPT (0.46) NOS1NOS3PLGKMT2AMEN1
SCHEMBL23411272 0.74 PLG (0.53) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4857038 0.74 NOS1 (0.58) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4854767 0.74 NOS1 (0.58) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL4857024 0.74 ADRA2A (0.61) KMT2AKDM4EALDH1A1
SCHEMBL834376 0.73 PLG (0.50) PLGKMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP SLC22A2 1157/4885SLC22A1 880/4885SLC22A3 1138/4885

“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.