SCHEMBL3222628

SCHEMBL3222628

O=C(O)NCC1CCN(C(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
LMNA P02545 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LIPG Q9Y5X9 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MGLL Q99685 2/20 0.47

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
SCHEMBL3215663 0.86 ACACB (0.51) MAPK14LMNALIPG
SCHEMBL3218307 0.86 SMN1; SMN2 (0.51) LMNAL3MBTL3L3MBTL1HTR1AHTR1B
SCHEMBL15937500 0.84 LIPG (0.62) LIPGHTR1A
SCHEMBL3218355 0.81 MAPK14 (0.74) MAPK14
SCHEMBL3216306 0.79 TSHR (0.71) MGLL
SCHEMBL3207784 0.79 KDM4E (0.68) MAPK14LMNA
SCHEMBL774880 0.78 KDM1A (0.57)
SCHEMBL3218211 0.77 SIGMAR1 (0.56) MAPK14
SCHEMBL3224806 0.76 MEN1 (0.71) LMNAL3MBTL1
SCHEMBL13423686 0.76 MAPK14 (0.64) MAPK14

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-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 MAPK14 2472/4885LMNA 1934/4885L3MBTL3 1554/4885

“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.