SCHEMBL5756850

SCHEMBL5756850

FC(F)(F)c1ccc(-c2cncn2Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.42
MARS1 P56192 1/20 0.42
FNTA P49354 1/20 0.40
PGGT1B P53609 1/20 0.40
P2RX7 Q99572 1/20 0.38
DBH P09172 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
ACP1 P24666 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL15358332 0.72 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9IDO1
SCHEMBL8369104 0.71 MARS1 (0.64) MARS1
SCHEMBL7944067 0.70 HSP90AA1 (0.46) CYP3A4IDO1MARS1P2RX7GPBAR1
SCHEMBL1951714 0.69 CYP11B1 (0.69) CYP11B1CYP11B2SMN1; SMN2IDO1P2RX7
SCHEMBL8369725 0.69 SLC16A3 (0.53) SMN1; SMN2MARS1
SCHEMBL5410314 0.68 CYP11B1 (0.66) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL15358469 0.68 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2IDO1P2RX7
SCHEMBL7952738 0.68 IDO1 (0.39) CYP3A4CYP2C9CYP1A2TSHRCYP2C19
SCHEMBL10686713 0.67 P2RX7 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9CYP1A2
SCHEMBL5756845 0.66 SCN2A (0.44) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 CYP11B1 831/4885CYP11B2 1175/4885CYP3A4 698/4885

“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.