SCHEMBL10224643

SCHEMBL10224643

CCc1ccc2scc(CC)c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.62
CYP2A6 P11509 3/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTR5A P47898 1/20 0.42
CA2 P00918 4/20 0.42
MTNR1B P49286 2/20 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
SCHEMBL8435916 0.85 KEAP1 (0.64) MTNR1AKEAP1NFE2L2MTNR1B
SCHEMBL10222343 0.85 MTNR1A (0.48) MTNR1ACYP2A6CA2
SCHEMBL8431821 0.84 MTNR1A (0.59) MTNR1ACYP2A6HTR5ACA2MTNR1B
SCHEMBL8605628 0.84 MTNR1A (0.59) MTNR1ACYP2A6KEAP1NFE2L2HTR5A
SCHEMBL13201460 0.83 MTNR1A (0.51) MTNR1ACYP2A6KEAP1NFE2L2HTR5A
Hydrochloric Acid SCHEMBL8882742 0.83 MTNR1A (0.58) MTNR1ACYP2A6HTR5ACA2MTNR1B
SCHEMBL10064416 0.83 MTNR1A (0.53) MTNR1ACYP2A6KEAP1NFE2L2HTR5A
SCHEMBL8431982 0.83 CYP2A6 (0.63) MTNR1ACYP2A6KEAP1NFE2L2HTR5A
SCHEMBL8037709 0.82 MTNR1A (0.56) MTNR1ACYP2A6HTR5ACA2MTNR1B
SCHEMBL10266973 0.81 CA2 (0.60) MTNR1ACYP2A6KEAP1NFE2L2CA2

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-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MTNR1A 332/4885CYP2A6 892/4885KEAP1 1587/4885

“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.