SCHEMBL20542004

SCHEMBL20542004

COc1ccc2nccc(CCCO)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.63
MTNR1B P49286 3/20 0.63
ROCK2 O75116 1/20 0.54
HTR1A P08908 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
KCNH2 Q12809 3/20 0.45
TLR8 Q9NR97 1/20 0.45
CYP19A1 P11511 1/20 0.44
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL5503877 0.91 MTNR1A (0.66) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL2544860 0.85 MTNR1A (0.61) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL2095741 0.84 MTNR1A (0.67) MTNR1AMTNR1BROCK2HTR1AADRA1D
Bromide SCHEMBL30402372 0.84 MTNR1A (0.60) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL6378710 0.82 MTNR1A (0.62) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL591578 0.82 MTNR1A (0.62) MTNR1AMTNR1BROCK2HTR1AADRA1D
Hydrochloric Acid SCHEMBL30420837 0.82 MTNR1A (0.59) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL15453205 0.82 MTNR1A (0.59) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL5004426 0.82 MTNR1A (0.62) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL6559028 0.81 MTNR1B (0.86) MTNR1AMTNR1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
US-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-06-07 US disclosed
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION 2020-04-30 US disclosed
EP-3612513-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF Ohio State Innovation Foundation (US) 2020-02-26 EP disclosed
WO-2018195098-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-10-25 WO 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 (2 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-11352349-B2 Type II topoisomerase inhibitors and methods of making and using thereof TOP2A, TOP1, TOP2B MTNR1A 4171/4885MTNR1B 3974/4885ROCK2 511/4885
US-20200131158-A1 TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF TOP2A, TOP1, TOP2B MTNR1A 4171/4885MTNR1B 3974/4885ROCK2 511/4885

“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.