SCHEMBL6429370

SCHEMBL6429370

Cc1cccc(C#Cc2ccc3c(c2)NC(=O)CO3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.53
MMP12 P39900 1/20 0.51
GRM5 P41594 4/20 0.46
PARP1 P09874 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45

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
SCHEMBL6400025 0.81 NR3C2 (0.55) NR3C2MMP12PARP1SMN1; SMN2RAB9A
SCHEMBL6394244 0.80 NR3C2 (0.58) NR3C2MMP12PARP1SMN1; SMN2RAB9A
SCHEMBL6398786 0.79 ALDH1A1 (0.49) GRM5SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL6621422 0.78 NR3C2 (0.52) NR3C2MMP12GRM5PARP1SMN1; SMN2
SCHEMBL6321386 0.77 NR3C2 (0.58) NR3C2MMP12GRM5PARP1SMN1; SMN2
SCHEMBL4710570 0.76 GRM5 (0.48) MMP12GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL6178668 0.76 RIPK1 (0.47) GRM5SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL6798236 0.75 GRM5 (0.55) GRM5SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL6391869 0.73 HTR1A (0.47) GRM5SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL6797207 0.73 GRM5 (0.52) GRM5SMN1; SMN2RAB9ANPC1KDM4E

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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 NR3C2 988/4885MMP12 1888/4885GRM5 317/4885

“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.