SCHEMBL3386950

SCHEMBL3386950

CC(=O)Nc1cccc2c1CC(CCOC(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SLC18A3 Q16572 4/20 0.44
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12355696 0.84 NPC1 (0.49) RAB9ANPC1SLC18A3ALDH1A1TSHR
SCHEMBL2241514 0.79 IDO1 (0.54) RAB9ASLC18A3ALDH1A1IDO1MTNR1A
SCHEMBL2242996 0.77 CHRNB2 (0.35) RAB9ANPC1ALDH1A1TSHRIDO1
SCHEMBL2246016 0.74 CYP1A2 (0.44) RAB9ANPC1MTNR1AMAPT
SCHEMBL2245257 0.72 KMT2A (0.45) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL7336824 0.72 HTR6 (0.55) RAB9ANPC1SLC18A3ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL7336371 0.71 HTR6 (0.54) RAB9ANPC1SLC18A3ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL7327948 0.71 HTR6 (0.54) RAB9ANPC1SLC18A3ALDH1A1MTNR1A
SCHEMBL8670333 0.69 NPC1 (0.47) RAB9ANPC1SLC18A3ALDH1A1MTNR1A
SCHEMBL30385657 0.68 TRPV1 (0.56) RAB9ANPC1SLC18A3ALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 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 (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 RAB9A 4579/4885NPC1 2111/4885SLC18A3 4695/4885

“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.