SCHEMBL3218291

SCHEMBL3218291

O=C(NC1CCN(C(=O)O)CC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DRD4 P21917 5/20 0.50
DRD2 P14416 4/20 0.50
SMYD3 Q9H7B4 2/20 0.49
RIPK2 O43353 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
SLC6A12 P48065 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.46
RORC P51449 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3200151 0.89 NPC1 (0.68) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL3211244 0.87 MAPK14 (0.62) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL3217850 0.86 USP30 (0.58) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL3222814 0.84 MAPK14 (0.58) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL27785151 0.77 TAS1R3 (0.54) MEN1KMT2ADRD4SLC6A12SLC6A13
SCHEMBL995119 0.77 POLB (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28801747 0.76 CHRNA7 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3205630 0.74 TSHR (0.55) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3218355 0.74 MAPK14 (0.74) MAPK14MEN1KMT2A
SCHEMBL3220345 0.74 ACLY (0.50)

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 2472/4885MEN1 2335/4885KMT2A 764/4885

“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.