SCHEMBL3208598

SCHEMBL3208598

O=C(Nc1ccncc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
STAT3 P40763 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
ABL1 P00519 2/20 0.61
JAK2 O60674 3/20 0.56
TYK2 P29597 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
NT5E P21589 1/20 0.54
ROCK2 O75116 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.52
JAK1 P23458 1/20 0.52
PTPN1 P18031 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL3203522 0.86 NAMPT (0.72) ABL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL775160 0.85 MAPT (0.56) SMN1; SMN2KMT2AMEN1ABL1KDM4E
SCHEMBL13455618 0.84 NAMPT (0.67) ABL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL29013035 0.83 POLB (1.00) POLBSTAT3SMN1; SMN2KMT2AMEN1
SCHEMBL3205567 0.83 CHRNB2 (0.59) POLBSTAT3SMN1; SMN2KMT2AMEN1
SCHEMBL3199806 0.82 PTPN1 (0.67) SMN1; SMN2KMT2AMEN1ABL1KDM4E
SCHEMBL773730 0.81 PLAU (0.62) POLBSMN1; SMN2KMT2AMEN1ABL1
SCHEMBL774842 0.81 KMT2A (0.60) SMN1; SMN2KMT2AMEN1ABL1KDM4E
SCHEMBL13423683 0.81 MMP13 (0.72) SMN1; SMN2KMT2AMEN1ALDH1A1ROCK2
SCHEMBL774698 0.81 KCNQ3 (0.77)

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 7 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

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 POLB 15/4885STAT3 2658/4885SMN1; SMN2 3153/4885

“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.