SCHEMBL7124036

SCHEMBL7124036

CCC(C)(C)NCC(O)c1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ADRB1 P08588 4/20 0.39
ADRB2 P07550 3/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
BLM P54132 1/20 0.38
ADRB3 P13945 2/20 0.34
CASR P41180 4/20 0.33
CTSA P10619 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL7124040 0.78 PARP1 (0.39) PARP1ADRB1ADRB2CYP2D6HIF1A
SCHEMBL7124045 0.73 PARP1 (0.40) PARP1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL7122691 0.73 PARP1 (0.40) PARP1CYP2D6NFKB1CTSA
SCHEMBL10875410 0.71 ADRB1 (0.50) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL24630910 0.71 HIF1A (0.51) PARP1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL22864225 0.71 HIF1A (0.51) PARP1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL22864228 0.68 ADRB1 (0.62) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL24630909 0.68 ADRB1 (0.62) ADRB1ADRB2CYP2D6NFKB1HIF1A
SCHEMBL7118786 0.68 PARP1 (0.43) PARP1NFKB1CTSA
SCHEMBL22864043 0.68 ADRB2 (0.47) ADRB1ADRB2CYP2D6NFKB1HIF1A

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-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2003-05-22 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-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof CYP2F1, CYP4F2, CYP4F3 PARP1 1508/4885ADRB1 340/4885ADRB2 297/4885

“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.