SCHEMBL7122691

SCHEMBL7122691

CCN(CC(O)c1cccc2ccc(-c3ccccc3)nc12)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
AR P10275 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACR P10323 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31

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
Pamoic Acid SCHEMBL7125175 0.83 GPR35 (0.47) PARP1TSHRRAB9AMEN1KMT2A
SCHEMBL7115774 0.81 PDE10A (0.40) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL7118786 0.79 PARP1 (0.43) PARP1TRPV3RAB9AMEN1KMT2A
SCHEMBL7124040 0.74 PARP1 (0.39) PARP1TRPV3TSHRRAB9AMEN1
SCHEMBL7583585 0.74 PARP1 (0.43) PARP1TRPV3RAB9AMEN1KMT2A
SCHEMBL7124036 0.73 PARP1 (0.40) PARP1CYP2D6NFKB1CTSA
SCHEMBL7124045 0.71 PARP1 (0.40) PARP1TRPV3TSHRRAB9AMEN1
SCHEMBL8003716 0.68 METAP2 (0.45) PARP1RAB9AMEN1KMT2ACYP1A2
SCHEMBL8003234 0.67 PARP1 (0.46) PARP1TSHRMEN1KMT2ACYP1A2
SCHEMBL8003231 0.67 PARP1 (0.46) PARP1TSHRMEN1KMT2ACYP1A2

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 6 patents. 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 claimed
EP-1242381-A2 2-PHENYL-QUINOLINE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 EP claimed
WO-2001044197-A2 2-PHENYL-QUINOLINE DERIVATIVES AND THEIR USE AS CONTRACTING AGENT FOR SMOOTH MUSCLES SANOFI-SYNTHELABO (FR) 2001-06-21 WO claimed
US-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2003-05-22 US disclosed
EP-1242381-A2 2-PHENYL-QUINOLINE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
WO-2001044197-A2 2-PHENYL-QUINOLINE DERIVATIVES AND THEIR USE AS CONTRACTING AGENT FOR SMOOTH MUSCLES SANOFI-SYNTHELABO (FR) 2001-06-21 WO 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 1508/4885ESR1 2902/4885ESR2 1342/4885

“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.