SCHEMBL4838205

SCHEMBL4838205

CCN(CC)c1ncc(C=O)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 1/20 0.53
KCNJ1 P48048 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A3 P47895 2/20 0.37
ALDH3A1 P30838 1/20 0.37
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL6630471 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EKCNJ1TDP1MAPT
SCHEMBL7230926 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EKCNJ1TDP1MAPT
SCHEMBL13091412 0.74 TMPRSS15 (0.34) ALDH1A1KDM4EMAPTLMNAWNT1
SCHEMBL15827106 0.72 CNR1 (0.45) ALDH1A1TDP1LMNA
SCHEMBL2411773 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EKCNJ1TDP1
SCHEMBL20284239 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EKCNJ1TDP1MAPT
SCHEMBL15889359 0.71
SCHEMBL26365042 0.71 GBA1 (0.33) ALDH1A1
SCHEMBL27748773 0.71 TDP1 (0.34) ALDH1A1KDM4ETDP1
SCHEMBL13349426 0.71 FDPS (0.37) ALDH1A1TDP1L3MBTL1LMNA

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 57 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO disclosed
EP-0453395-B1 Pressure sensitive recording material CIBA GEIGY AG (CH) 1995-11-02 EP disclosed
US-5254522-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1993-10-19 US disclosed
EP-0453395-A1 Pressure sensitive recording material CIBA-GEIGY AG (CH) 1991-10-23 EP disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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 (7 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 ALDH1A1 2424/4885KDM4E 1552/4885KCNJ1 4817/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ALDH1A1 3670/4885KDM4E 317/4885KCNJ1 3997/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ALDH1A1 1723/4885KDM4E 1909/4885KCNJ1 2658/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 ALDH1A1 2424/4885KDM4E 1552/4885KCNJ1 4817/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 ALDH1A1 1723/4885KDM4E 1909/4885KCNJ1 2658/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS ALDH1A1 721/4885KDM4E 3027/4885KCNJ1 1776/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ALDH1A1 3670/4885KDM4E 317/4885KCNJ1 3997/4885

“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.