SCHEMBL3205567

SCHEMBL3205567

O=C(Nc1ccncn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DEGS1 O15121 2/20 0.49
MPL P40238 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NAMPT P43490 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.47
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABL1 P00519 1/20 0.47
GSK3A P49840 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
SCHEMBL3224360 0.87 RAB9A (0.71) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL774842 0.85 KMT2A (0.60) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL3208598 0.83 POLB (0.70) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL778050 0.82 KMT2A (0.60) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL777078 0.81 NPC1 (0.60) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL3205726 0.79 KMT2A (0.61) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL13423746 0.78 NPC1 (0.61) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3203522 0.78 NAMPT (0.72) NPC1RAB9AALDH1A1NAMPTABL1
SCHEMBL3218359 0.78 HDAC1 (0.48) MEN1KMT2ANPC1RAB9ADEGS1
SCHEMBL775372 0.78 HDAC1 (0.48) MEN1KMT2ANPC1RAB9ADEGS1

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 CHRNB2 4792/4885CHRNB4 4834/4885CHRNA3 4826/4885

“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.