SCHEMBL1554083

SCHEMBL1554083

CN1CCN(c2ncc(C=O)s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
ALDH1A1 P00352 5/20 0.70
MAPT P10636 2/20 0.65
KCNJ1 P48048 1/20 0.45
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR2 Q92731 1/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL12824361 0.84 ALDH1A1 (0.96) TDP1ALDH1A1MAPTKCNJ1TP53
SCHEMBL13711958 0.82 ALDH1A1 (1.00) TDP1ALDH1A1MAPTKCNJ1TP53
SCHEMBL12515889 0.82 ALDH1A1 (1.00) TDP1ALDH1A1MAPTKCNJ1TP53
SCHEMBL12824499 0.81 ALDH1A1 (0.72) TDP1ALDH1A1MAPTKCNJ1RAB9A
SCHEMBL1852489 0.79 ALDH1A1 (0.70) TDP1ALDH1A1MAPTKCNJ1RAB9A
SCHEMBL7231518 0.79 ALDH1A1 (0.70) TDP1ALDH1A1MAPTKCNJ1RAB9A
SCHEMBL20771270 0.79 TDP1 (0.65) TDP1ALDH1A1MAPTKCNJ1RAB9A
SCHEMBL2629383 0.77 TDP1 (0.62) TDP1ALDH1A1MAPTTP53NPSR1
SCHEMBL1897864 0.77 TDP1 (0.62) TDP1ALDH1A1MAPTTP53NPSR1
SCHEMBL12824606 0.74 ALDH1A1 (0.71) TDP1ALDH1A1MAPTKCNJ1RAB9A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
EP-2488519-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT Pierre Fabre Médicament (FR) 2012-08-22 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
EP-2103611-A1 BENZOXAZOLE DERIVATIVES Tohoku University (JP) 2009-09-23 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 (8 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 TDP1 688/4885ALDH1A1 2424/4885MAPT 1886/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 TDP1 1447/4885ALDH1A1 3670/4885MAPT 2072/4885
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 TDP1 645/4885ALDH1A1 170/4885MAPT 3678/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 TDP1 2688/4885ALDH1A1 1723/4885MAPT 4443/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B TDP1 4635/4885ALDH1A1 2656/4885MAPT 1880/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 TDP1 688/4885ALDH1A1 2424/4885MAPT 1886/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 TDP1 2688/4885ALDH1A1 1723/4885MAPT 4443/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 TDP1 1447/4885ALDH1A1 3670/4885MAPT 2072/4885

“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.