SCHEMBL2245406

SCHEMBL2245406

CC(=O)Nc1ccc2c(c1)CCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP2C19 P33261 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MAPT P10636 4/20 0.60
BAZ2B Q9UIF8 1/20 0.55
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
PIR O00625 1/20 0.47
HSF1 Q00613 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47

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
SCHEMBL29739444 1.00 CYP1A2 (0.65) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL2245426 0.91 CYP1A2 (0.69) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL28101607 0.86 CTNNB1 (0.51) CYP1A2CYP2C19NPSR1MAPTNPC1
SCHEMBL10848884 0.83 CYP1A2 (0.87) CYP1A2CYP2C19NPSR1MAPTNPC1
SCHEMBL6207360 0.81 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL24783881 0.80 TRIM24 (0.43) CYP1A2CYP2C19NPSR1MAPTPIR
SCHEMBL1726294 0.80 CTNNB1 (0.61) MAPTNPC1RAB9APIRHSF1
SCHEMBL5861384 0.79 CYP1A2 (1.00) CYP1A2CYP2C19NPSR1MAPTNPC1
SCHEMBL29546196 0.79 TRIM24 (0.44) MAPTNPC1RAB9ASMN1; SMN2PIR
SCHEMBL23432653 0.79 TRIM24 (0.44) MAPTNPC1RAB9ASMN1; SMN2PIR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 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 (1 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-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 CYP1A2 42/4885CYP2C19 344/4885NPSR1 1263/4885

“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.