SCHEMBL3222932

SCHEMBL3222932

O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.86
DHODH Q02127 3/20 0.86
KDM4E B2RXH2 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 3/20 0.72
CYP1A2 P05177 1/20 0.70
HIF1A Q16665 1/20 0.70
MAPT P10636 5/20 0.66
KMT2A Q03164 3/20 0.66
GAA P10253 3/20 0.66
MEN1 O00255 2/20 0.66
HPGD P15428 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66

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
SCHEMBL3228525 0.92 TP53 (1.00) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5151890 0.86 DHODH (0.69) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4249057 0.84 KDM4E (0.68) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2281113 0.80 MAPT (0.64) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1897298 0.79 STAT3 (0.76) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29536364 0.79 DHODH (1.00) TP53DHODHKDM4ESMN1; SMN2LMNA
SCHEMBL2467110 0.79 DHODH (1.00) TP53DHODHKDM4ESMN1; SMN2LMNA
Cinchophen SCHEMBL25519 0.79 KDM4E (1.00) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
Cinchophen SCHEMBL7588217 0.79 KDM4E (1.00) TP53DHODHKDM4ESMN1; SMN2ALDH1A1
Cinchophen SCHEMBL29376617 0.79 KDM4E (1.00) TP53DHODHKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO claimed
CN-112920115-A Quinoline-4-formamide skeleton derivative and application thereof 四川大学 2021-06-08 CN disclosed
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R TP53 4286/4885DHODH 3439/4885KDM4E 2399/4885

“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.