SCHEMBL26529166

SCHEMBL26529166

CC(=O)Nc1c([N+](=O)[O-])cc(I)c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
MAPK1 P28482 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL8620867 0.88 MAPT (0.48) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL6842000 0.77 MAPT (0.43) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL5565461 0.74 MAPT (0.48) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL13978697 0.73 MAPT (0.51) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL26529163 0.72 ALDH1A1 (0.40) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9362588 0.72 ALDH1A1 (0.38) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL28836799 0.72 GPR35 (0.55) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL2249641 0.71 HTT (0.49) MAPTGAALMNAALDH1A1HTT
SCHEMBL2246833 0.71 HTT (0.49) MAPTGAALMNAALDH1A1HTT
SCHEMBL3635385 0.71 ALDH1A1 (0.65) MAPTGAAKDM4ELMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US 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-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 MAPT 1674/4885GAA 178/4885KDM4E 4471/4885

“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.