Sugi Predict

Sugi Predict / Compounds / SCHEMBL100456

SCHEMBL100456

SCHEMBL100456

O=[N+]([O-])c1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ S100A4 P26447 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43

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
SCHEMBL29430733 1.00 ALDH1A1 (0.61) ALDH1A1TDP1S100A4TRPV1CRHBP
SCHEMBL24757925 0.97 ALDH1A1 (0.58) ALDH1A1TDP1S100A4TRPV1CRHBP
SCHEMBL14906924 0.91 S100A4 (0.56) ALDH1A1TDP1S100A4TRPV1MAPT
SCHEMBL15791109 0.90 TDP1 (0.50) ALDH1A1TDP1S100A4TRPV1CRHBP
SCHEMBL5321726 0.89 S100A4 (0.54) ALDH1A1TDP1S100A4TRPV1MAPT
SCHEMBL28122064 0.88 ALDH1A1 (0.56) ALDH1A1TDP1S100A4TRPV1CRHBP
SCHEMBL15790413 0.86 ALDH1A1 (0.61) ALDH1A1TDP1S100A4TRPV1CRHBP
SCHEMBL204357 0.85 S100A4 (0.61) ALDH1A1S100A4TRPV1MAPTRAB9A
SCHEMBL11731287 0.84 GABRA1 (0.54) ALDH1A1TDP1S100A4TRPV1MAPT
SCHEMBL31716269 0.83 S100A4 (0.49) ALDH1A1TDP1S100A4TRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315194-B A kind of synthetic method of 2- bromine carbazole and its intermediate 赵晓宇 2018-12-25 — — CN claimed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 — — US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 — — US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 — — US disclosed
CN-116253646-A Synthesis method and application of 2-nitro-1, 1' -biphenyl compound 湖南海利化工股份有限公司 2023-06-13 — — CN disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
CN-113881954-B Method for synthesizing carbazole parent through Cadogan reaction 中钢集团南京新材料研究院有限公司 2023-05-19 — — CN disclosed
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 — — US disclosed
CN-101309893-A Process for producing biphenyl SYNGENTA PARTICIPATIONS AG (CH) 2008-11-19 — — CN disclosed
EP-1957439-A2 PROCESS FOR THE PRODUCTION OF BIPHENYLS Syngeta Participations AG (CH) 2008-08-20 — — EP disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 — — WO disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 — — WO disclosed
WO-2007057138-A2 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 — — WO disclosed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 — — US disclosed
EP-0463931-B1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON CSF (FR) 1996-04-24 — — EP disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 — — EP disclosed
US-5264512-A Amorphous copolymers, transparent in the visible range, for non-linear optical applications THOMSON-CSF (FR) 1993-11-23 — — US disclosed
EP-0463931-A1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON-CSF (FR) 1992-01-02 — — EP 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 (4 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 ALDH1A1 1477/4885TDP1 3641/4885S100A4 1554/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 ALDH1A1 1431/4885TDP1 3614/4885S100A4 1857/4885
US-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 ALDH1A1 203/4885TDP1 873/4885S100A4 1583/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ALDH1A1 133/4885TDP1 1140/4885S100A4 1197/4885

“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.