SCHEMBL4445945

SCHEMBL4445945

NC(=O)Cc1cccc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL4445961 0.88 XDH (0.44) XDHEPHX2NR1H4CSNK2A1EGLN1
SCHEMBL14049809 0.70 EPHX2 (0.47) XDHEPHX2NR1H4CSNK2A1EGLN1
SCHEMBL4443781 0.68 HDAC2 (0.54) EPHX2NR1H4HDAC1
SCHEMBL4441737 0.66 ALDH1A1 (0.58) —
SCHEMBL1249264 0.66 HIF1A (0.58) XDHEPHX2NR1H4CSNK2A1
SCHEMBL4447240 0.65 HPGD (0.43) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17132839 0.63 MMP13 (0.68) XDHEPHX2NR1H4KDM4C
SCHEMBL30004856 0.63 PFKFB3 (0.60) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2856871 0.63 PFKFB3 (0.60) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4444275 0.63 NPC1 (0.52) —

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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 XDH 383/4885EPHX2 2642/4885NR1H4 1225/4885

“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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