SCHEMBL1960058

SCHEMBL1960058

O=Cc1ccc(N2CCOCC2)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.73
POLB P06746 3/20 0.73
ALDH1A1 P00352 12/20 0.63
KMT2A Q03164 18/20 0.57
MEN1 O00255 17/20 0.57
MAPT P10636 16/20 0.57
KDM4E B2RXH2 9/20 0.57
PKM P14618 10/20 0.56
HPGD P15428 7/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPSR1 Q6W5P4 5/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.52
USP2 O75604 3/20 0.52
THRB P10828 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 5/20 0.51
HTT P42858 7/20 0.50
RAB9A P51151 7/20 0.50

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
SCHEMBL1958677 0.83 SMN1; SMN2 (0.96) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL29951954 0.80 SMN1; SMN2 (0.71) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1960623 0.80 SMN1; SMN2 (0.71) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1958069 0.77 ALDH1A1 (0.71) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL20206188 0.75 POLB (0.63) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL3041701 0.75 ALDH1A1 (0.59) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL12964058 0.74 KMT2A (1.00) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1959071 0.74 POLB (0.61) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL2559210 0.73 ALDH1A1 (0.64) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL15331670 0.73 SMN1; SMN2 (0.59) SMN1; SMN2POLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920106-B2 Metal chemical mechanical planarization (CMP) composition and methods therefore VERSUM MATERIALS US, LLC (US) 2021-02-16 US disclosed
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-20200032107-A1 Metal Chemical Mechanical Planarization (CMP) Composition And Methods Therefore VERSUM MATERIALS US, LLC (US) 2020-01-30 US disclosed
US-10465096-B2 Metal chemical mechanical planarization (CMP) composition and methods therefore VERSUM MATERIALS US, LLC (US) 2019-11-05 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-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 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 (10 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 SMN1; SMN2 4177/4885POLB 845/4885ALDH1A1 2424/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 SMN1; SMN2 4030/4885POLB 249/4885ALDH1A1 3670/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 SMN1; SMN2 2078/4885POLB 1637/4885ALDH1A1 1723/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 SMN1; SMN2 4353/4885POLB 2924/4885ALDH1A1 1692/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 SMN1; SMN2 4177/4885POLB 845/4885ALDH1A1 2424/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 SMN1; SMN2 2078/4885POLB 1637/4885ALDH1A1 1723/4885
US-20140011862-A1 Compositions and Methods for Treating Leukemia MCL1, ABL1, FLT3 SMN1; SMN2 2078/4885POLB 1637/4885ALDH1A1 1723/4885
US-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 SMN1; SMN2 4826/4885POLB 3618/4885ALDH1A1 112/4885
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM BRD3, BRD2, BRD4 SMN1; SMN2 4263/4885POLB 660/4885ALDH1A1 4275/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 SMN1; SMN2 4030/4885POLB 249/4885ALDH1A1 3670/4885

“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.