SCHEMBL3218359

SCHEMBL3218359

O=C(Nc1nccnc1C(=O)O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ATM Q13315 1/20 0.47
SERPINE1 P05121 1/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3223530 0.89 KMT2A (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3224360 0.81 RAB9A (0.71) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3208598 0.79 POLB (0.70) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL774842 0.79 KMT2A (0.60) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL775372 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL13423746 0.79 NPC1 (0.61) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL773809 0.78 MEN1 (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3205567 0.78 CHRNB2 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3618277 0.76 KMT2A (0.55) MEN1KMT2AKDM4ERXFP1NPC1
SCHEMBL3203522 0.76 NAMPT (0.72) KDM4ELMNANPC1RAB9AMAPT

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 HDAC1 317/4885HDAC8 347/4885HDAC6 496/4885

“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.