SCHEMBL4773632

SCHEMBL4773632

CCN1CCN(c2nc(-c3cc(OC)c(OC)cc3OC)cc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NTSR1 P30989 4/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
GBA1 P04062 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL4767279 0.99 KMT2A (0.46) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL14103308 0.91 KMT2A (0.43) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4768653 0.90 CYP1A2 (0.48) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6292095 0.89 KMT2A (0.48) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4769162 0.88 KDM4E (0.48) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4774677 0.88 LMNA (0.47) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4772567 0.87 LMNA (0.47) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4771973 0.87 KDM4E (0.48) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6292035 0.86 MAPT (0.45) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4767877 0.85 KDM4E (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US 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 KMT2A 1240/4885MEN1 786/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885SMN1; SMN2 37/4885

“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.