SCHEMBL3550435

SCHEMBL3550435

NC1c2ccccc2-c2c(-c3nc4cnc(C(=O)O)cc4[nH]3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.44
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
SIRT1 Q96EB6 1/20 0.37
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
KMT2A Q03164 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL3550438 1.00 HSP90AB1 (0.44) HSP90AB1KDM4ERAB9ASIRT1F2
SCHEMBL3553415 0.81 KDM4E (0.46) HSP90AB1KDM4ERAB9AF2F9
SCHEMBL3553419 0.81 KDM4E (0.46) HSP90AB1KDM4ERAB9AF2F9
SCHEMBL3556520 0.80 KDM4E (0.45) KDM4ERAB9ASIRT1F2F9
SCHEMBL3550808 0.80 KDM4E (0.45) HSP90AB1KDM4ERAB9ASIRT1F2
SCHEMBL3550804 0.80 KDM4E (0.45) HSP90AB1KDM4ERAB9ASIRT1F2
SCHEMBL13437139 0.76 HSP90AB1 (0.50) HSP90AB1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2309681 0.76 CBFB (0.47) HSP90AB1KDM4ERAB9AF2F10
SCHEMBL2309675 0.76 CBFB (0.47) HSP90AB1KDM4ERAB9AF2F10
SCHEMBL2312629 0.75 HSP90AB1 (0.75) HSP90AB1KDM4ERAB9ASIRT1HDAC3

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 HSP90AB1 2/4885KDM4E 3419/4885RAB9A 1012/4885

“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.