SCHEMBL25873137

SCHEMBL25873137

O=[N+]([O-])c1ccc2ccccc2c1-c1c([N+](=O)[O-])c2oc3ccccc3c2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.43
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 4/20 0.40
HPRT1 P00492 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL25873192 0.82 MAPT (0.45) HNF4AMAPTHTTMEN1KMT2A
SCHEMBL23030553 0.78 ALDH1A1 (0.47) HNF4AMAPTHTTMEN1KMT2A
SCHEMBL25873138 0.74 LMNA (0.47) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL18553510 0.73 HNF4A (0.47) HNF4AMAPTMEN1KMT2AALDH1A1
SCHEMBL27876722 0.72 LMNA (0.50) HNF4AMAPTHTTMEN1KMT2A
SCHEMBL25873156 0.72 MAPT (0.46) HNF4AMAPTHTTMEN1KMT2A
SCHEMBL19429421 0.70 HNF4A (0.49) HNF4AMAPTHTTMEN1KMT2A
SCHEMBL18121132 0.70 HNF4A (0.47) HNF4AMAPTMEN1KMT2AALDH1A1
SCHEMBL187452 0.70 TSHR (0.65) HNF4AMAPTMEN1KMT2AALDH1A1
SCHEMBL9162298 0.69 CTSB (0.59) MAPTHTTMEN1KMT2AALDH1A1

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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 HNF4A 4267/4885MAPT 955/4885HTT 64/4885

“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.