SCHEMBL4769370

SCHEMBL4769370

CCN1CCN(c2nc(/C=C/c3ccccc3OCCO)cc3ccoc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
CYP2D6 P10635 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4769372 1.00 KDM4E (0.38) KDM4EALDH1A1KMT2AMEN1TDP1
Oxalic Acid SCHEMBL4769354 0.96 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1TDP1
Oxalic Acid SCHEMBL4769349 0.96 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4763617 0.85 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4763610 0.85 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4792970 0.84 MAPT (0.41) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL4792963 0.84 MAPT (0.41) KDM4EALDH1A1KMT2AMEN1TDP1
Oxalic Acid SCHEMBL6288874 0.81 CHRM2 (0.35) KDM4EALDH1A1KMT2AMEN1LMNA
Oxalic Acid SCHEMBL6288873 0.81 CHRM2 (0.35) KDM4EALDH1A1KMT2AMEN1LMNA
Oxalic Acid SCHEMBL4769148 0.81 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM4E 1050/4885ALDH1A1 2989/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885KMT2A 1300/4885

“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.