SCHEMBL22833739

SCHEMBL22833739

O=[N+]([O-])c1ccc2c(c1)C(F)(F)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.45
ADRA2A P08913 5/20 0.45
TDP2 O95551 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
KDM1A O60341 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29506344 1.00 PNMT (0.45) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL4336912 0.81 CA1 (0.46) PNMTADRA2ATDP2LMNAMEN1
Ammonia Solution, Strong SCHEMBL29113467 0.79 PNMT (0.45) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL2061978 0.79 PNMT (0.53) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL8311228 0.79 PNMT (0.42) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL14220267 0.76 PNMT (0.41) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL14053944 0.75 ALDH1A1 (0.39) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL14053942 0.75 ALDH1A1 (0.39) PNMTADRA2ATDP2LMNAMEN1
SCHEMBL15541888 0.74 RAB9A (0.41) TDP2LMNAMEN1MAPTRAB9A
SCHEMBL18595788 0.74 PNMT (0.46) PNMTADRA2ATDP2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 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-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK PNMT 1346/4885ADRA2A 1248/4885TDP2 1935/4885

“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.