SCHEMBL3224360

SCHEMBL3224360

O=C(Nc1ccccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
NPC1 O15118 6/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
DEGS1 O15121 1/20 0.52
PKM P14618 2/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KCNMA1 Q12791 1/20 0.50

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 0.88 KMT2A (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3210737 0.88 SMN1; SMN2 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3205567 0.87 CHRNB2 (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL778050 0.85 KMT2A (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6940180 0.84 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL777078 0.83 NPC1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13423746 0.83 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3208598 0.81 POLB (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3218359 0.81 HDAC1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL775372 0.81 HDAC1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 RAB9A 3552/4885NPC1 2916/4885MEN1 2335/4885

“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.