SCHEMBL21143286

SCHEMBL21143286

Brc1cncn1CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
IDO1 P14902 1/20 0.42
TSHR P16473 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2780498 0.90 HTT (0.47) CYP11B1CYP11B2IDO1GSK3AGSK3B
SCHEMBL23130914 0.79 CYP11B1 (0.63) CYP11B1CYP11B2IDO1
SCHEMBL1951380 0.79 CYP11B1 (0.66) SIGMAR1CYP11B1CYP11B2IDO1TSHR
SCHEMBL6928442 0.78 CYP11B1 (0.56) SIGMAR1CYP11B1CYP11B2IDO1TSHR
SCHEMBL8862697 0.76 CYP11B1 (0.51) SIGMAR1CYP11B1CYP11B2IDO1TSHR
SCHEMBL7509773 0.76 CYP11B1 (0.46) SIGMAR1CYP11B1CYP11B2IDO1TSHR
Hydrochloric Acid SCHEMBL6924270 0.76 CYP11B1 (0.51) SIGMAR1CYP11B1CYP11B2IDO1TSHR
SCHEMBL409874 0.74 HMOX1 (0.51) CYP11B1CYP11B2
SCHEMBL16719005 0.73 CYP11B1 (0.46) CYP11B1CYP11B2
SCHEMBL13470151 0.71 CYP11B1 (0.49) SIGMAR1CYP11B1CYP11B2GSK3AGSK3B

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-20190218188-A1 NOVEL 5-SUBSTITUTED IMIDAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218188-A1 NOVEL 5-SUBSTITUTED IMIDAZOLE DERIVATIVES IRF3, MYB, IPMK SIGMAR1 4246/4885CYP11B1 3162/4885CYP11B2 3491/4885

“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.