SCHEMBL3269734

SCHEMBL3269734

CCOC(=O)C1CCCN(C[C@@H](O)COc2cccc3ncccc23)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 1/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
BRD4 O60885 1/20 0.54
ABCB1 P08183 4/20 0.54
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3269728 1.00 SMN1; SMN2 (0.63) SMN1; SMN2HPGDMEN1KMT2ABRD4
SCHEMBL3269739 1.00 SMN1; SMN2 (0.63) SMN1; SMN2HPGDMEN1KMT2ABRD4
SCHEMBL3267455 0.89 ABCB1 (0.59) SMN1; SMN2HPGDKMT2AABCB1KDM4E
SCHEMBL3267459 0.89 ABCB1 (0.59) SMN1; SMN2HPGDKMT2AABCB1KDM4E
SCHEMBL3266056 0.88 ABCB1 (0.60) SMN1; SMN2HPGDMEN1KMT2AABCB1
SCHEMBL3266053 0.88 ABCB1 (0.60) SMN1; SMN2HPGDMEN1KMT2AABCB1
SCHEMBL3266062 0.88 ABCB1 (0.60) SMN1; SMN2HPGDMEN1KMT2AABCB1
SCHEMBL3920339 0.83 ABCB1 (0.56) SMN1; SMN2HPGDMEN1KMT2AABCB1
SCHEMBL3920334 0.83 ABCB1 (0.56) SMN1; SMN2HPGDMEN1KMT2AABCB1
SCHEMBL13938082 0.81 ABCB1 (0.53) ABCB1KDM4EMAPK1NPSR1

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 10 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-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US 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 SMN1; SMN2 2454/4885HPGD 169/4885MEN1 2708/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 SMN1; SMN2 2929/4885HPGD 99/4885MEN1 2184/4885

“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.