SCHEMBL4794701

SCHEMBL4794701

CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 3/20 0.57
PIP4K2B P78356 3/20 0.57
PIP4K2C Q8TBX8 1/20 0.57
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGDS O60760 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLAU P00749 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
PGR P06401 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
ASH1L Q9NR48 1/20 0.37
PTPRC P08575 1/20 0.37
TDP2 O95551 2/20 0.36

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
SCHEMBL4795621 0.84 PIP4K2A (0.62) PIP4K2APIP4K2BPIP4K2CKDM4EHPGDS
SCHEMBL4793924 0.80 TSHR (0.42) PIP4K2APIP4K2BPIP4K2CMEN1KMT2A
SCHEMBL4795341 0.80 PIP4K2A (0.58) PIP4K2APIP4K2BPIP4K2CHPGDSIKBKB
SCHEMBL3928614 0.79 PIP4K2A (0.72) PIP4K2APIP4K2BPIP4K2CHPGDSIKBKB
SCHEMBL4798306 0.78 PIP4K2A (0.63) PIP4K2APIP4K2BPIP4K2CHPGDSIKBKB
SCHEMBL4793932 0.77 PIP4K2A (0.60) PIP4K2APIP4K2BPIP4K2CHPGDSIKBKB
SCHEMBL4793193 0.76 PIP4K2A (0.59) PIP4K2APIP4K2BPIP4K2CKDM4EHPGDS
SCHEMBL4795811 0.75 PIP4K2A (0.60) PIP4K2APIP4K2BPIP4K2CHPGDSPGR
SCHEMBL4796970 0.73 PIP4K2A (0.63) PIP4K2APIP4K2BPIP4K2CHPGDSIKBKB
SCHEMBL4794532 0.73 PIK3CD (0.44) PIP4K2APIP4K2BPIP4K2CKDM4EHPGDS

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PIP4K2A 4321/4885PIP4K2B 4353/4885PIP4K2C 4501/4885

“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.