SCHEMBL3221206

SCHEMBL3221206

O=C(Nc1cnccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)c(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
KMT2A Q03164 2/20 0.52
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABL1 P00519 2/20 0.47
GSK3B P49841 3/20 0.46
GSK3A P49840 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ABCB1 P08183 1/20 0.44
DEGS1 O15121 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL774842 0.90 KMT2A (0.60) SIRT2KMT2AALOX15TSHRCASP1
SCHEMBL3217000 0.86 NAMPT (0.59) SIRT2ABL1ALDH1A1ABCB1NPC1
SCHEMBL773831 0.84 KMT2A (0.60) SIRT2KMT2AALOX15TSHRCASP1
SCHEMBL3205726 0.82 KMT2A (0.61) SIRT2KMT2AALOX15TSHRCASP1
SCHEMBL3224360 0.79 RAB9A (0.71) SIRT2KMT2AALDH1A1DEGS1NPC1
SCHEMBL775407 0.78 KMT2A (0.55) SIRT2KMT2AALOX15TSHRCASP1
SCHEMBL775028 0.78 MEN1 (0.54) KMT2ATSHRHSD17B10ABL1ALDH1A1
SCHEMBL3210915 0.77 AKR1C3 (0.47) KMT2ATSHRALDH1A1MAPTMEN1
SCHEMBL22410921 0.77 NPC1 (0.70) SIRT2KMT2AALOX15TSHRCASP1
SCHEMBL3205567 0.76 CHRNB2 (0.59) KMT2AABL1GSK3BGSK3AALDH1A1

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 SIRT2 1974/4885KMT2A 764/4885ALOX15 3427/4885

“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.