SCHEMBL3510171

SCHEMBL3510171

COC(=O)c1cccc(Cn2ccc3cc([N+](=O)[O-])cc(Cl)c32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 5/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3508431 0.88 TP53 (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3504613 0.85 PDE4A (0.40) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL3506950 0.82 PLAU (0.48) MEN1KMT2ALOXL2MAPTALDH1A1
SCHEMBL31729695 0.81 MRGPRX4 (0.55) YTHDC1LOXL2IDO1CYP4F2CYP4A11
SCHEMBL9182305 0.77 PAX8 (0.51) MEN1KMT2AMAPTLMNA
SCHEMBL1607852 0.77 ALDH1A1 (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3184013 0.72 PPARG (0.55) SMN1; SMN2
SCHEMBL5425304 0.72 HDAC8 (0.56) MEN1KMT2AFNTAFNTBPGGT1B
SCHEMBL31335187 0.72 HDAC8 (0.56) MEN1KMT2AFNTAFNTBPGGT1B
SCHEMBL5424484 0.72 PPARG (0.60)

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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 YTHDC1 3848/4885MEN1 1237/4885KMT2A 186/4885

“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.