SCHEMBL4773636

SCHEMBL4773636

CCN1CCN(c2nc(C(OC(=O)C(=O)OC(c3ccc(OC)cc3)c3cc4ccccc4c(N4CCN(CC)CC4)n3)c3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
KDR P35968 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
TRPV4 Q9HBA0 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4763607 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4772543 0.85 MEN1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL6292021 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL4773633 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4769665 0.84 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4771995 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4763566 0.75 HRH3 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL4764292 0.75 KDR (0.41) ALDH1A1KDM4EMEN1KMT2ADRD2
Oxalic Acid SCHEMBL4768201 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4791784 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2DRD2DRD4

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
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-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 ALDH1A1 2989/4885KDM4E 1050/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885SMN1; 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.