SCHEMBL3218307

SCHEMBL3218307

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MGLL Q99685 4/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
HTR2B P41595 3/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HSD11B1 P28845 1/20 0.45
FASN P49327 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
SCHEMBL3222628 0.86 MAPK14 (0.51) MGLLL3MBTL3L3MBTL1LMNAHTR2B
SCHEMBL774880 0.83 KDM1A (0.57)
SCHEMBL3221724 0.80 POLB (0.49) SMN1; SMN2MGLLL3MBTL1LMNAHPGD
SCHEMBL3216306 0.80 TSHR (0.71) MGLLKMT2ATSHRALDH1A1
SCHEMBL3218211 0.80 SIGMAR1 (0.56) HPGDMAPK1
SCHEMBL3215663 0.79 ACACB (0.51) LMNA
SCHEMBL3224806 0.79 MEN1 (0.71) SMN1; SMN2L3MBTL1LMNAMEN1KMT2A
SCHEMBL13423695 0.78 PDK2 (0.53) MGLLL3MBTL3L3MBTL1
SCHEMBL3218302 0.78 PDK2 (0.53) MGLLL3MBTL3L3MBTL1
SCHEMBL3218607 0.77 HPGD (0.52) SMN1; SMN2L3MBTL3L3MBTL1LMNAHPGD

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 SMN1; SMN2 3153/4885MGLL 2922/4885L3MBTL3 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.