SCHEMBL3266053

SCHEMBL3266053

O=C(O)[C@@H]1CCCN(CC(O)COc2cccc3ncccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 3/20 0.45
DRD2 P14416 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3266056 1.00 ABCB1 (0.60) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3266062 1.00 ABCB1 (0.60) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3920334 0.94 ABCB1 (0.56) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3920339 0.94 ABCB1 (0.56) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3269734 0.88 SMN1; SMN2 (0.63) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3269728 0.88 SMN1; SMN2 (0.63) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3269739 0.88 SMN1; SMN2 (0.63) ABCB1ALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL3916906 0.88 ABCB1 (0.59) ABCB1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3267445 0.88 ABCB1 (0.67) ABCB1ALDH1A1DRD4DRD2MAPT
SCHEMBL3267440 0.88 ABCB1 (0.67) ABCB1ALDH1A1DRD4DRD2MAPT

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 8 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
EP-1326833-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed
WO-2002032869-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO 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 540/4885MAPK1 3186/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 ABCB1 2/4885ALDH1A1 351/4885MAPK1 3832/4885

“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.