SCHEMBL3218211

SCHEMBL3218211

O=C(c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
CCNC P24863 8/20 0.56
CDK8 P49336 8/20 0.56
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPK14 Q16539 1/20 0.50
GHSR Q92847 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL3210771 0.95 HPGD (0.53) SIGMAR1CCNCCDK8MKNK1MKNK2
SCHEMBL3224806 0.84 MEN1 (0.71) MAPK1POLB
SCHEMBL5266293 0.83 SIGMAR1 (0.80) SIGMAR1CCNCCDK8MKNK1MKNK2
SCHEMBL3221724 0.82 POLB (0.49) HPGDMAPK1GHSRPOLB
Hydrochloric Acid SCHEMBL4763940 0.82 SIGMAR1 (0.77) SIGMAR1CCNCCDK8MKNK1MKNK2
SCHEMBL3218607 0.80 HPGD (0.52) HPGDMAPK1GHSRPOLB
SCHEMBL3218307 0.80 SMN1; SMN2 (0.51) HPGDMAPK1
SCHEMBL13295295 0.79 HPGD (0.73) SIGMAR1HPGDRXFP1POLB
SCHEMBL774880 0.78 KDM1A (0.57)
Piperazine SCHEMBL27980519 0.78 HPGD (0.71) SIGMAR1HPGDRXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B SIGMAR1 4510/4885CCNC 124/4885CDK8 54/4885

“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.