SCHEMBL3218965

SCHEMBL3218965

O=C(c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1)N1CCCC1c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.52
ROCK2 O75116 9/20 0.51
SCD5 Q86SK9 3/20 0.47
CCNC P24863 4/20 0.46
CDK8 P49336 4/20 0.46
GRM5 P41594 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
ADAM17 P78536 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
SCHEMBL18085954 0.82 SCD (0.65) SCDROCK2SCD5ADAM17
SCHEMBL3217208 0.82 NAMPT (0.55) ROCK2SCD5
SCHEMBL16565652 0.80 SCD (0.60) SCDROCK2SCD5ADAM17
SCHEMBL165005 0.77 SCD (0.55) SCDROCK2SCD5
SCHEMBL2038614 0.75 TSHR (0.50) ROCK2
SCHEMBL17437291 0.73 SCD (0.53) SCDROCK2SCD5CCNCCDK8
SCHEMBL17437292 0.73 SCD (0.53) SCDROCK2SCD5CCNCCDK8
SCHEMBL13212081 0.73 ROCK2 (0.55) SCDROCK2CCNCCDK8GRM5
SCHEMBL12459923 0.73 HSD11B1 (0.50) SCDROCK2CCNCCDK8JAK2
SCHEMBL19226714 0.72 KMT2A (0.53) SCDROCK2CCNCCDK8GRM5

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 8 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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
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
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (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 SCD 3224/4885ROCK2 846/4885SCD5 2883/4885

“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.