SCHEMBL3550808

SCHEMBL3550808

O=C(O)c1cc2[nH]c(-c3cccc4c3-c3ccccc3C4=NO)nc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
SIRT1 Q96EB6 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK10 P53779 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
PTK2B Q14289 2/20 0.39
NCOA1 Q15788 2/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AB1 P08238 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3550804 1.00 KDM4E (0.45) KDM4ERAB9ASIRT1KMT2ASMN1; SMN2
SCHEMBL3556520 0.85 KDM4E (0.45) KDM4ERAB9ASIRT1KMT2ASMN1; SMN2
SCHEMBL3556550 0.80 KDM4E (0.50) KDM4ERAB9AKMT2ASMN1; SMN2MAPK10
SCHEMBL3556552 0.80 KDM4E (0.50) KDM4ERAB9AKMT2ASMN1; SMN2MAPK10
SCHEMBL3556548 0.80 KDM4E (0.50) KDM4ERAB9AKMT2ASMN1; SMN2MAPK10
SCHEMBL3550438 0.80 HSP90AB1 (0.44) KDM4ERAB9ASIRT1KMT2ASMN1; SMN2
SCHEMBL3550435 0.80 HSP90AB1 (0.44) KDM4ERAB9ASIRT1KMT2ASMN1; SMN2
SCHEMBL2309658 0.78 RAB9A (0.55) KDM4ERAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL2309662 0.78 RAB9A (0.55) KDM4ERAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL12431585 0.78 RAB9A (0.55) KDM4ERAB9AKMT2ASMN1; SMN2MEN1

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-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 KDM4E 3419/4885RAB9A 1012/4885SIRT1 1109/4885

“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.