SCHEMBL22866211

SCHEMBL22866211

CC(O)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 4/20 0.43
PTPRC P08575 3/20 0.42
S100A4 P26447 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
GPR35 Q9HC97 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL29607775 1.00 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL28981557 0.86 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRGPR35
SCHEMBL10477072 0.86 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL28757447 0.83 GAA (0.44) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL16960664 0.83 TDP1 (0.44) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL6244176 0.81 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRGPR35
SCHEMBL11317580 0.81 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRACHE
SCHEMBL7465528 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRGPR35TP53
SCHEMBL28757448 0.80 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL28981559 0.80 CYP19A1 (0.43) ALDH1A1TDP1CYP3A4TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008791-A1 CHEMICAL COMPOUNDS BORAH INC (US) 2026-01-08 US disclosed
US-12358932-B2 Chemical compounds BORAH, INC. (US) 2025-07-15 US disclosed
US-20240368196-A1 CHEMICAL COMPOUNDS BORAH, INC. 2024-11-07 US disclosed
EP-3994142-A1 CHEMICAL COMPOUNDS Borah, Inc. (US) 2022-05-11 EP disclosed
CN-114341145-A Chemical compound 博拉公司 2022-04-12 CN disclosed
WO-2021003501-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-01-07 WO disclosed
WO-2021003501-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-01-07 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 (3 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-20260008791-A1 CHEMICAL COMPOUNDS JAK3, JAK2, JAK1 ALDH1A1 2401/4885TDP1 615/4885CYP3A4 1441/4885
US-20240368196-A1 CHEMICAL COMPOUNDS PDE4A, PDE4B, SYK ALDH1A1 2613/4885TDP1 311/4885CYP3A4 1174/4885
US-12358932-B2 Chemical compounds PDE4A, PDE4B, SYK ALDH1A1 2613/4885TDP1 311/4885CYP3A4 1174/4885

“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.