SCHEMBL6429442

SCHEMBL6429442

CC1=NN=C(c2ccccc2N)c2cc3c(cc2C1)OOC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.34
RAD52 P43351 1/20 0.34
GABRA5 P31644 2/20 0.33
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL350464 0.82 GRIA2 (0.68) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5048632 0.81 GRIA2 (0.67) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10886665 0.75 PKM (0.61) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9223260 0.73 MAPT (0.47) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7399020 0.72 KMT2A (0.42) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8795298 0.70 ROCK2 (0.43) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8793158 0.69 ALDH1A1 (0.43) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8793015 0.69 MAPT (0.43) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8794191 0.67 ALDH1A1 (0.41) GRIA2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8793040 0.67 AAK1 (0.42) GRIA2MEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 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 (2 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-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 GRIA2 22/4885MEN1 4517/4885ALDH1A1 2518/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 GRIA2 21/4885MEN1 3073/4885ALDH1A1 4022/4885

“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.