SCHEMBL3814947

SCHEMBL3814947

N#Cc1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.54
GPR35 Q9HC97 4/20 0.51
VCAM1 P19320 2/20 0.44
CTSB P07858 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 3/20 0.42
RECQL P46063 2/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
GRM6 O15303 1/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL4144580 0.81 ERN1 (0.69) ERN1GPR35MAPTMEN1ALDH1A1
SCHEMBL28490634 0.81 VCAM1 (0.58) GPR35VCAM1CTSBMAPTMEN1
SCHEMBL31353089 0.81 GPR35 (0.52) ERN1GPR35VCAM1CTSBMAPT
SCHEMBL31374335 0.79 GPR35 (0.51) ERN1GPR35VCAM1MAPTMEN1
SCHEMBL31353086 0.79 VCAM1 (0.56) ERN1GPR35VCAM1MAPTMEN1
SCHEMBL16096964 0.79 VCAM1 (0.60) GPR35VCAM1CTSBMAPTMEN1
SCHEMBL1343512 0.79 GPR35 (0.51) ERN1GPR35VCAM1MAPTMEN1
SCHEMBL25171478 0.79 GPR35 (0.48) ERN1GPR35VCAM1MAPTMEN1
SCHEMBL31220231 0.79 GPR35 (0.48) ERN1GPR35VCAM1MAPTMEN1
SCHEMBL1515777 0.77 XDH (0.63) ERN1VCAM1CTSBMAPTMEN1

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
CN-119490424-A Preparation method of 2-fluoro-3-aminobenzoic acid and ester compound 沈阳中化农药化工研发有限公司 2025-02-21 CN disclosed
WO-2025036387-A1 PREPARATION METHOD FOR 2-FLUORO-3-AMINOBENZOIC ACID AND ESTER COMPOUNDS 沈阳中化农药化工研发有限公司 2025-02-20 WO disclosed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
CN-113880833-A Biphenyl polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-01-04 CN disclosed
CN-113072551-A Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-07-06 CN disclosed
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP disclosed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US disclosed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 ERN1 1251/4885GPR35 3796/4885VCAM1 3450/4885

“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.