SCHEMBL11856448

SCHEMBL11856448

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.72
MAPT P10636 6/20 0.68
ALDH1A1 P00352 6/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.53
PTPN1 P18031 1/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
Fluorodifen SCHEMBL39283 0.91 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
Fluorodifen SCHEMBL29419116 0.91 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
Fluorodifen SCHEMBL8539624 0.91 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL31090851 0.90 LMNA (0.62) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL14677574 0.90 LMNA (0.62) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL27706167 0.89 HSPB1 (0.68) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL27713384 0.89 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL11322040 0.86 MEN1 (0.82) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL27709817 0.86 ALDH1A1 (0.68) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL7200200 0.84 LMNA (0.60) HSPB1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 CN disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 EP disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 EP disclosed
EP-3717464-A1 NITRATION ETH Zurich (CH) 2020-10-07 EP disclosed
US-3989506-A 2,1,3-BENZOTHIADIAZINONE(4)2,2-DIOXIDE, NITROPHENYL ETHER BASF AKTIENGESELLSCHAFT (DT) 1976-11-02 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 (2 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-20220009875-A1 NITRATION NOS1, NOS2, NOS3 HSPB1 1273/4885MAPT 3137/4885ALDH1A1 2335/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 HSPB1 1273/4885MAPT 3137/4885ALDH1A1 2335/4885

“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.