SCHEMBL465455

SCHEMBL465455

NP(=S)(Nc1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 4/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
LMNA P02545 3/20 0.34
IDO1 P14902 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3894486 0.76 KDM4E (0.41) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8016489 0.73 NPSR1 (0.44) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8016485 0.73 ALDH1A1 (0.42) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8020135 0.68 ALDH1A1 (0.40) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL2384713 0.68 NPSR1 (0.47) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL6830787 0.64 ALDH1A1 (0.37) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL6831562 0.64 ALDH1A1 (0.44) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL239971 0.64 KDM4E (0.50) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL28253909 0.64 KDM4E (0.50) NPSR1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL96680 0.64 HTT (0.48) NPSR1CYP1A2CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137849-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2023-05-04 US claimed
EP-3579839-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2019-12-18 EP claimed
WO-2018146390-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2018-08-16 WO claimed
WO-2010138661-A1 NANOPARTICULATE ANTICANCER COMPOSITIONS AND METHODS FOR MAKING THE SAME ELAN PHARMA INTERNATIONAL LTD. (IE) 2010-12-02 WO claimed
US-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same SANOFI-AVENTIS (FR) 2009-06-25 US claimed
US-7524857-B2 Pharmaceutical combinations based on pyridoindolone derivatives and anticancer agents SANOFI-AVENTIS (FR) 2009-04-28 US claimed
US-20080176874-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same SANOFI-AVENTIS (FR) 2008-07-24 US claimed
US-20230137849-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2023-05-04 US disclosed
EP-3579839-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2019-12-18 EP disclosed
WO-2018146390-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER AZELEAD (FR) 2018-08-16 WO disclosed
EP-2825177-A1 NOVEL COMBINATIONS FOR TREATING ACUTE MYELOID LEUKAEMIA OR CHRONIC MYELOID LEUKAEMIA SANOFI (FR) 2015-01-21 EP disclosed
US-20150005253-A1 NOVEL COMBINATIONS FOR TREATING ACUTE MYELOID LEUKAEMIA OR CHRONIC MYELOID LEUKAEMIA SANOFI SA (FR) 2015-01-01 US disclosed
EP-1773835-B1 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI SA (FR) 2014-09-24 EP disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 EP disclosed
EP-1556380-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-07-27 EP disclosed
US-20040122036-A1 Pharmaceutical combinations based on pyridoindolone derivatives and anticancer agents SANOFI (FR) 2004-06-24 US disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 WO disclosed
WO-2004037821-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-05-06 WO disclosed
EP-1385513-A1 PHARMACEUTICAL COMBINATIONS BASED ON PYRIDOINDOLONE DERIVATIVES AND ANTICANCER AGENTS Sanofi-Aventis (FR) 2004-02-04 EP disclosed
WO-2002087575-A1 PHARMACEUTICAL COMBINATIONS BASED ON PYRIDOINDOLONE DERIVATIVES AND ANTICANCER AGENTS SANOFI-SYNTHELABO (FR) 2002-11-07 WO 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 (5 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-20150005253-A1 NOVEL COMBINATIONS FOR TREATING ACUTE MYELOID LEUKAEMIA OR CHRONIC MYELOID LEUKAEMIA MCL1, FLT3, ABL1 NPSR1 4587/4885CYP1A2 3695/4885CYP2C9 4597/4885
US-20080176874-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same DPYD, TYMP, TYMS NPSR1 3306/4885CYP1A2 781/4885CYP2C9 782/4885
US-20040122036-A1 Pharmaceutical combinations based on pyridoindolone derivatives and anticancer agents DPYD, DHFR, PNPO NPSR1 3396/4885CYP1A2 70/4885CYP2C9 69/4885
US-20230137849-A1 USE OF A COMPOUND OF THE DIURETICS CLASS FOR TREATING CANCER ABCC4, ATP6V1B1, ABCC2 NPSR1 2063/4885CYP1A2 1033/4885CYP2C9 826/4885
US-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same DPYD, TYMP, TYMS NPSR1 3306/4885CYP1A2 781/4885CYP2C9 782/4885

“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.