SCHEMBL3605470

SCHEMBL3605470

O=C(O)N1CCC(C(=O)N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.38
SLC2A1 P11166 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.37
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3596012 0.95 SLC2A1 (0.41) CA12CA1CA2CA9POLB
SCHEMBL3607171 0.93 SLC2A1 (0.42) POLBSLC2A1ALDH1A1TSHRLMNA
SCHEMBL3596441 0.93 ALDH1A1 (0.43) POLBALDH1A1LMNAKDM4ETDP1
SCHEMBL13254203 0.93 ALDH1A1 (0.40) CA12CA1CA2CA9POLB
Hydrochloric Acid SCHEMBL3592308 0.92 ALDH1A1 (0.39) CA12CA1CA2CA9POLB
SCHEMBL3583319 0.91 SFRP1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL3597319 0.90 KCNJ1 (0.40) ALDH1A1TSHRKMT2ATDP1MEN1
SCHEMBL3590840 0.88 ACHE (0.40) TDP1MAPT
SCHEMBL3604419 0.87 ALDH1A1 (0.41) ALDH1A1LMNAMAPT
SCHEMBL3602275 0.87 ALDH1A1 (0.41) POLBSLC2A1ALDH1A1LMNAKDM4E

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 CA12 2641/4885CA1 2802/4885CA2 1741/4885

“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.