SCHEMBL10154048

SCHEMBL10154048

Cn1c(=O)c2cc3c(=O)n(-c4ccc(C(C)(C)C)cc4)c(=O)c3cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NR1H4 Q96RI1 4/20 0.42
PMM2 O15305 1/20 0.42
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXRA P19793 1/20 0.38
LMNA P02545 3/20 0.37
TYR P14679 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 3/20 0.36

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
SCHEMBL19011462 0.91 MAPT (0.42) CA12CA1CA2CA9NR1H4
SCHEMBL862493 0.80 CA12 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL13866453 0.80 CA12 (0.40) CA12CA1CA2CA9NR1H4
SCHEMBL18239277 0.79 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL862492 0.78 MAPK1 (0.61) CA12CA1CA2CA9MAPT
SCHEMBL12856287 0.77 PGR (0.39) CA12CA1CA2CA9MAPT
SCHEMBL22837832 0.77 NR1H4 (0.39) CA12CA1CA2CA9NR1H4
SCHEMBL18823083 0.77 MAPT (0.41) CA12CA1CA2CA9NR1H4
SCHEMBL14701840 0.77 LMNA (0.38) CA12CA1CA2CA9MAPT
SCHEMBL13411436 0.77 CA12 (0.46) CA12CA1CA2CA9MAPT

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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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 (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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC CA12 1989/4885CA1 639/4885CA2 425/4885

“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.