SCHEMBL21474636

SCHEMBL21474636

Cc1ccc(C)c2[nH]c(-c3ccncc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.61
GAA P10253 2/20 0.61
SI P14410 2/20 0.61
MGAM2 Q2M2H8 2/20 0.61
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RHEB Q15382 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL14771418 0.82 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL21474635 0.77 PARP1 (0.46) MGAMGAASIMGAM2RHEB
SCHEMBL5201211 0.76 GAA (0.58) MGAMGAASIMGAM2NPC1
SCHEMBL5201203 0.76 MGAM (1.00) MGAMGAASIMGAM2NPC1
SCHEMBL10869567 0.75 GSK3B (0.52)
Hydrochloric Acid SCHEMBL10411501 0.73 GSK3B (0.51)
SCHEMBL10869557 0.71 TNKS (0.50) MGAMGAASIMGAM2
SCHEMBL22291214 0.70 SMPD3 (0.58) MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL10411500 0.70 TNKS (0.49) MGAMGAASIMGAM2
SCHEMBL10027329 0.70 ADORA3 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115482-A1 MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND PRODUCTION METHOD FOR MIXTURE ZEON CORPORATION (JP) 2020-04-16 US disclosed
US-20200031971-A1 MIXTURE, POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, ANTIREFLECTION FILM, AND METHOD OF USING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-01-30 US disclosed
US-20190330399-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZER, DISPLAY, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-31 US disclosed
US-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-17 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-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM CCNA1, CCNA2, ADRA1A MGAM 4756/4885GAA 4696/4885SI 4863/4885

“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.