SCHEMBL13396455

SCHEMBL13396455

O=C(Nc1cc(=O)[nH]cn1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
BRD4 O60885 1/20 0.49
HCAR3 P49019 1/20 0.49
PDPK1 O15530 1/20 0.48
ATM Q13315 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6499835 0.76 EGFR (0.65) HDAC6CCNA2CDK2CCNA1MEN1
SCHEMBL1378618 0.76 KMT2A (0.56) HDAC6CCNA2CDK2CCNA1MEN1
SCHEMBL5694143 0.75 MEN1 (0.51) HDAC6CCNA2CDK2CCNA1MEN1
SCHEMBL4589056 0.74 HDAC6 (0.65) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL15754799 0.74 HDAC6 (1.00) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL29396652 0.74 HDAC6 (1.00) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL7669653 0.72 RAB9A (0.64) HDAC6CCNA2CDK2CCNA1MEN1
SCHEMBL29220747 0.72 HCAR3 (0.71) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL28102830 0.72 IP6K1 (0.60) MEN1KMT2ANPC1RAB9ABRD4
SCHEMBL210467 0.71 KMT2A (0.64) HDAC6CCNA2CDK2CCNA1MEN1

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 HDAC6 263/4885CCNA2 2788/4885CDK2 759/4885

“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.