SCHEMBL616678

SCHEMBL616678

O=C(O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TDP1 Q9NUW8 3/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CES2 O00748 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
SRD5A2 P31213 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
Hydrochloric Acid SCHEMBL5875896 0.98 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL8508219 0.91 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL136718 0.85 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL5875909 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL74700 0.84 MAPK1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5875894 0.84 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6156511 0.84 KMT2A (0.65) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL8507703 0.83 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL260006 0.82 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL29288676 0.82 KMT2A (0.63) ALDH1A1TDP1CYP3A4ALOX15KMT2A

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 270 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745805-A Synthetic method of phenanthrene and naphthocycloheptene compounds 南通大学 2023-03-07 CN claimed
CN-112264101-B Preparation method and application of metal organic framework catalyst with torsion structure 大连理工大学 2021-12-31 CN claimed
CN-112264101-A Preparation method and application of metal organic framework catalyst with torsion structure 大连理工大学 2021-01-26 CN claimed
CN-106967076-A One kind has 6H dibenzopyrans structural compounds and preparation method thereof 河南师范大学 2017-07-21 CN claimed
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
CN-122036605-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2026-05-15 CN disclosed
US-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA INC (US) 2025-10-30 US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 WO disclosed
CN-119371391-A Aroyl compound and preparation method and application thereof 河北医科大学 2025-01-28 CN disclosed
WO-2025017305-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed
WO-2025017306-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed
EP-0187231-B1 AMINO PHENYL BENZOTHIAZOLES BAYER AG (DE) 1990-01-17 EP disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885TDP1 2393/4885CYP3A4 1109/4885
US-20250333405-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 ALDH1A1 3167/4885TDP1 4381/4885CYP3A4 3711/4885

“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.