SCHEMBL3533639

SCHEMBL3533639

N#CCc1cc2c(cc1Br)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CSNK2A1 P68400 3/20 0.39
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 6/20 0.35
HSP90B1 P14625 5/20 0.35
TRAP1 Q12931 5/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL11743033 0.86 MAPT (0.38) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6987564 0.81 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL13405938 0.79 CSNK2A1 (0.48) MEN1KMT2ACSNK2A1ALDH1A1HPGD
SCHEMBL7618640 0.77 MAPT (0.41) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL2382336 0.77 MAPT (0.45) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL1465723 0.77 TAAR1 (0.34) ALDH1A1TSHRGAAMAPTHTT
SCHEMBL29360916 0.77 MAPT (0.45) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL11693833 0.77 MAPT (0.38) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL18932097 0.77 CSNK2A1 (0.47) MEN1KMT2ACSNK2A1ALDH1A1HPGD
SCHEMBL1520657 0.75 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CYP3A4 3696/4885CYP1A2 2491/4885CYP2D6 2642/4885

“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.