SCHEMBL6724748

SCHEMBL6724748

CCN1CCN(c2nc(CNOC)cc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
CYP2D6 P10635 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4765648 0.83 MAPT (0.43) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4772149 0.80 HRH4 (0.56) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4769857 0.79 NTSR1 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4775573 0.79 PRMT5 (0.46) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
Oxalic Acid SCHEMBL4769392 0.79 MCHR1 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL4769084 0.78 PRMT5 (0.45) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4763521 0.78 SMPD1 (0.43) SMN1; SMN2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL4772199 0.77 KMT2A (0.54) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4763429 0.77 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4770137 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTKMT2ACYP1A2

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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885LMNA 1917/4885MAPT 3756/4885

“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.