SCHEMBL22833802

SCHEMBL22833802

O=[N+]([O-])c1ccc2c(c1)C(F)(F)C(Br)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.43
ADRA2A P08913 6/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM1A O60341 1/20 0.41
TDP2 O95551 1/20 0.41

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
SCHEMBL29506360 1.00 PNMT (0.43) PNMTADRA2AADRA2BADRA2CCHRNB2
SCHEMBL29506363 0.72 KDM1A (0.46) PNMTADRA2ACHRNB4CHRNA3KDM1A
SCHEMBL22833620 0.72 KDM1A (0.46) PNMTADRA2ACHRNB4CHRNA3KDM1A
SCHEMBL29506344 0.70 PNMT (0.45) PNMTADRA2AKDM1ATDP2
SCHEMBL22833739 0.70 PNMT (0.45) PNMTADRA2AKDM1ATDP2
SCHEMBL28291021 0.70 PNMT (0.49) PNMTADRA2AADRA2BADRA2CCHRNB2
SCHEMBL22271650 0.69 TDP2 (0.49) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL8773020 0.69 ALDH1A1 (0.43) PNMTADRA2AKDM1ATDP2
SCHEMBL22271652 0.69 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL23782692 0.69 KDM1A (0.42) PNMTCHRNB2CHRNB4CHRNA3CHRNA4

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 6 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
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO 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 1248/4885ADRA2B 729/4885

“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.