SCHEMBL7124045

SCHEMBL7124045

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
ADRB2 P07550 3/20 0.38
PTGS2 P35354 2/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB1 P08588 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.36
HIF1A Q16665 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7124036 0.73 PARP1 (0.40) PARP1ADRB2CYP2D6ADRB1HIF1A
SCHEMBL7124040 0.72 PARP1 (0.39) PARP1ADRB2TRPV3KDM4ECYP1A2
SCHEMBL7122691 0.71 PARP1 (0.40) PARP1TRPV3KDM4ELMNACYP1A2
SCHEMBL7118786 0.69 PARP1 (0.43) PARP1TRPV3KDM4ELMNAMEN1
SCHEMBL7583585 0.64 PARP1 (0.43) PARP1TRPV3KDM4ELMNAMEN1
SCHEMBL1753930 0.64 MEN1 (0.59) PARP1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL29441293 0.64 MEN1 (0.59) PARP1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL8888541 0.64 PARP1 (0.54) PARP1KDM4ETSHRMEN1KMT2A
SCHEMBL564494 0.64 PARP1 (0.58) PARP1KDM4ELMNACYP1A2TSHR
SCHEMBL29729655 0.64 PARP1 (0.58) PARP1KDM4ELMNACYP1A2TSHR

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 1508/4885ADRB2 297/4885PTGS2 2179/4885

“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.