SCHEMBL6306730

SCHEMBL6306730

COc1ccccc1C(NCCNC(C)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NR3C2 P08235 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 1/20 0.33
MAPT P10636 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
SCHEMBL4362996 0.83 ALDH1A1 (0.42) KIF11GAAKMT2AMEN1HTT
SCHEMBL4367360 0.82 KMT2A (0.38) HPGDSMN1; SMN2GAAKMT2AMEN1
SCHEMBL4367354 0.82 KMT2A (0.38) HPGDSMN1; SMN2GAAKMT2AMEN1
SCHEMBL6306727 0.80 ALDH1A1 (0.47) KIF11SMN1; SMN2KMT2AMEN1HTT
SCHEMBL18705415 0.77 ALDH1A1 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL2490295 0.77 KCNN4 (0.61) KIF11SMN1; SMN2GAAKMT2AMEN1
SCHEMBL4374354 0.76 MAPT (0.48) KMT2AMEN1ALDH1A1CASRMAPT
SCHEMBL4374348 0.76 MAPT (0.48) KMT2AMEN1ALDH1A1CASRMAPT
SCHEMBL6306726 0.76 ALDH1A1 (0.36) HPGDSMN1; SMN2GAAKMT2AMEN1
SCHEMBL2489143 0.75 ALDH1A1 (0.45) GAAKMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919441-B2 Polyamide-oligonucleotide derivatives, their preparation and use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-19 US disclosed
US-20030203359-A1 Polyamide-oligonucleotide derivatives, their preparation and use HOECHST MARION ROUSSEL DEUTSCHLAND GMBH 2003-10-30 US disclosed
US-6063571-A SYNTHESIZING NUCLEOTIDE SEQUENCES; OBTAINING NUCLEOTIDE SEQUENCE TEMPLATE, HYBRIDIZING OLIGONUCLEOTIDE, SYNTHESIZING NUCLEOTIDE SEQUENCES; FOR DIAGNOSIS OF CANCER, VIRAL INFECTION, AND PROPAGATION DEFECTS HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
EP-0829542-A1 Method for amplification of nucleic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-18 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 (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-20030203359-A1 Polyamide-oligonucleotide derivatives, their preparation and use POLRMT, POLN, POLR2H KIF11 3335/4885HPGD 4083/4885SMN1; SMN2 2021/4885

“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.