SCHEMBL8289904

SCHEMBL8289904

O=C(NO)c1cc(-c2cccc(CNCCc3ccccn3)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ NMT1 P30419 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HDAC1 Q13547 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CD274 Q9NZQ7 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
SCHEMBL8289903 0.88 HDAC1 (0.51) KDM4EHDAC1CYP2D6HDAC3HDAC2
SCHEMBL4429089 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6
SCHEMBL8289907 0.77 HDAC6 (0.55) HDAC1RAB9ANPC1HDAC3HDAC2
SCHEMBL14448999 0.77 HSP90AA1 (0.50) PARP1HDAC6
SCHEMBL17511287 0.73 SMN1; SMN2 (0.52) KDM4EKMT2ARAB9AMAPK1SMN1; SMN2
SCHEMBL18768781 0.71 KDM4E (0.56) KDM4EADRB2ADRB1ADRA1DKMT2A
SCHEMBL30338402 0.71 KDM4E (0.66) KDM4EADRB2ADRB1ADRA1DDRD2
SCHEMBL5575878 0.71 KDM4E (0.66) KDM4EADRB2ADRB1ADRA1DDRD2
SCHEMBL4424751 0.70 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC6
SCHEMBL1798568 0.70 KDM4E (0.58) KDM4EADRB2ADRB1ADRA1DDRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 — — US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 — — US disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 — — 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 KDM4E 454/4885ADRB2 4179/4885ADRB1 3933/4885

“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.

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