SCHEMBL7124040

SCHEMBL7124040

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ADRB2 P07550 10/20 0.36
ADRB1 P08588 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.78 PARP1 (0.40) PARP1ADRB2ADRB1CYP2D6HIF1A
SCHEMBL7122691 0.74 PARP1 (0.40) PARP1NPC1RAB9ATRPV3KDM4E
SCHEMBL7124045 0.72 PARP1 (0.40) PARP1ADRB2ADRB1RAB9ATRPV3
SCHEMBL7118786 0.68 PARP1 (0.43) PARP1NPC1RAB9ATRPV3KDM4E
SCHEMBL20819512 0.63 ADRB2 (0.72) ADRB2ADRB1KDM4EALDH1A1CYP2D6
SCHEMBL20819511 0.63 ADRB2 (0.72) ADRB2ADRB1KDM4EALDH1A1CYP2D6
SCHEMBL19330048 0.63 ADRB2 (0.72) ADRB2ADRB1KDM4EALDH1A1CYP2D6
SCHEMBL20836632 0.63 ADRB2 (0.72) ADRB2ADRB1KDM4EALDH1A1CYP2D6
SCHEMBL7583585 0.63 PARP1 (0.43) PARP1NPC1RAB9ATRPV3KDM4E
SCHEMBL1753930 0.62 MEN1 (0.59) PARP1NPC1RAB9AKDM4EALDH1A1

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 297/4885ADRB1 340/4885

“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.