SCHEMBL3267459

SCHEMBL3267459

CCOC(=O)C1CCN(CC(O)COc2cccc3ncccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.59
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.48
DRD4 P21917 3/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL3267455 1.00 ABCB1 (0.59) ABCB1ALDH1A1MAPTSMN1; SMN2USP2
SCHEMBL3269739 0.89 SMN1; SMN2 (0.63) ABCB1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3269734 0.89 SMN1; SMN2 (0.63) ABCB1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3269728 0.89 SMN1; SMN2 (0.63) ABCB1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL3267440 0.87 ABCB1 (0.67) ABCB1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3267445 0.87 ABCB1 (0.67) ABCB1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL13306280 0.86 ABCB1 (0.63) ABCB1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL14347226 0.85 ABCB1 (0.64) ABCB1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3929703 0.82 ABCB1 (0.63) ABCB1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9184310 0.82 ABCB1 (0.74) ABCB1ALDH1A1MAPTKDM4EKMT2A

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-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-10-05 US disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed
US-6376514-B1 PIPERIDINE-DERIVED COMPOUNDS CONTAINING A QUINOLYL GROUP THAT INHIBITS P-GLYCOPROTEIN TRANSPORT PROTEIN ACTIVITY; FOR TREATING CANCER AND OTHER DISEASES THE PROCTER & GAMBLE CO. 2002-04-23 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 (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-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 ABCB1 2/4885ALDH1A1 540/4885MAPT 3446/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 ABCB1 2/4885ALDH1A1 351/4885MAPT 3608/4885

“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.