SCHEMBL4142913

SCHEMBL4142913

c1ccc(Cn2cnc3ccccc32)c(Cn2cnc3ccccc32)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.77
CYP11B2 P19099 8/20 0.77
TNF P01375 2/20 0.70
TDP1 Q9NUW8 1/20 0.68
HTT P42858 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 4/20 0.62
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
BRD4 O60885 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL30826274 1.00 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
Bromide SCHEMBL31253900 0.98 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
Hydrochloric Acid SCHEMBL31253891 0.98 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL20550865 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL28996363 0.88 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL8618130 0.88 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL7212277 0.88 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30322779 0.88 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL7215799 0.88 CYP11B1 (0.67) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL20715592 0.87 CYP11B1 (0.66) CYP11B1CYP11B2TNFTDP1HTT

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-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US claimed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 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-20090082574-A1 Metallacycles and methods of making the same SOD1, PMS2, MEN1 CYP11B1 95/4885CYP11B2 49/4885TNF 2591/4885

“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.