SCHEMBL3786601

SCHEMBL3786601

O=C1COc2ccc(C(O)CN3CCN(C(=O)OCc4ccccc4)CC3)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 1/20 0.44
PARP1 P09874 3/20 0.43
ENPP2 Q13822 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BACE1 P56817 1/20 0.42
OPRM1 P35372 1/20 0.41
AVPR1A P37288 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4759018 0.88 DRD2 (0.44) ALDH1A1TSHRGAAMAPTDRD2
SCHEMBL5774775 0.85 DRD4 (0.46) ALDH1A1TSHRGAAMAPTDRD2
SCHEMBL3783255 0.77 PARP1 (0.45) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL5655518 0.77 PARP1 (0.48) ALDH1A1GAAMAPTDRD2DRD4
SCHEMBL5763201 0.77 PARP1 (0.48) ALDH1A1GAAMAPTDRD2DRD4
SCHEMBL8973073 0.72 MEN1 (0.59) ALDH1A1KDM4EPARP1MEN1KMT2A
SCHEMBL7270318 0.72 GAA (0.59) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL7269722 0.71 PARP1 (0.60) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL10863709 0.71 DRD2 (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL10862527 0.70 DRD2 (0.61) DRD2DRD4DRD3

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B ALDH1A1 3016/4885KDM4E 1219/4885TSHR 4704/4885

“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.