SCHEMBL22062845

SCHEMBL22062845

CC(C)(C)c1cc(-n2c(=O)[nH]c3ccccc32)c(N)c(-n2c(=O)[nH]c3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.57
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KCNMA1 Q12791 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
AURKA O14965 4/20 0.43
POLB P06746 1/20 0.41
GABRP O00591 3/20 0.41
GABRD O14764 3/20 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
SCHEMBL22062662 0.81 HSP90AA1 (0.54) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL22062844 0.81 HSP90AA1 (0.55) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL16455938 0.77 TNKS (0.49) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL12610020 0.74 HSP90AA1 (0.55) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL29589834 0.74 HSP90AA1 (0.55) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL16455944 0.71 TNKS (0.49) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL9119821 0.71 HSP90AA1 (0.55) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL8520286 0.70 HSP90AA1 (0.54) HSP90AA1MAPTLMNAMEN1CYP1A2
SCHEMBL25698297 0.69 HSD11B1 (0.52) HSP90AA1MAPTLMNAMEN1KMT2A
SCHEMBL23119726 0.69 HSP90AA1 (0.56) HSP90AA1MAPTLMNAMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 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-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EMC2, NFE2L2, AOC2 HSP90AA1 4011/4885MAPT 2667/4885LMNA 1641/4885

“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.