SCHEMBL313116

SCHEMBL313116

COc1ccc(C(C)=O)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
CYP1A2 P05177 4/20 0.65
CYP2C19 P33261 4/20 0.65
CYP2D6 P10635 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 6/20 0.55
GLA P06280 1/20 0.55
MEN1 O00255 5/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.53
PKM P14618 2/20 0.52
ALOX12 P18054 2/20 0.52
RAB9A P51151 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL27630437 0.86 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL29688674 0.85 LMNA (0.55) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL31652866 0.85 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL12982799 0.85 LMNA (0.55) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL36091 0.85 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL16951267 0.84 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL29810107 0.83 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL8156286 0.83 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL36283 0.83 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL1287590 0.83 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112374984-A Preparation process of 2-bromo-4-hydroxyanisole 苏州求索生物科技有限公司 2021-02-19 CN claimed
US-12331047-B2 Synthesis for 3-bromo-5-(2-ethylimidazo[1, 2-alpha]pyridine-3-carbonyl)-2-hydroxybenzonitrile ATOM THERAPEUTICS CO., LTD (CN) 2025-06-17 US disclosed
CN-119306597-A Preparation method of aromatic bromo-compound 阜阳欣奕华制药科技有限公司 2025-01-14 CN disclosed
EP-3915984-B1 SYNTHESIS OF 3-BROMO-5-(2-ETHYLIMIDAZO[1,2-ALPHA]PYRIDINE-3-CARBONYL)-2-HYDROXYBENZONITRILE JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2024-10-30 EP disclosed
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2024-01-11 US disclosed
CN-116444443-A Benzoyl-quinazolinone derivative, and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2023-07-18 CN disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 US disclosed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 EP disclosed
WO-1997041090-A1 INORGANIC ION RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-11-06 WO disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 WO disclosed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
EP-0267670-B1 OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND HAVING CYANO GROUP Chisso Corporation (JP) 1992-12-23 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
US-4886622-A Optically active liquid crystal compound having cyano group CHISSO CORPORATION (JP) 1989-12-12 US disclosed
EP-0267670-A1 Optically active liquid crystal compound having cyano group Chisso Corporation (JP) 1988-05-18 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885CYP1A2 4393/4885CYP2C19 4123/4885
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 ALDH1A1 741/4885CYP1A2 1630/4885CYP2C19 3305/4885
US-12331047-B2 Synthesis for 3-bromo-5-(2-ethylimidazo[1, 2-alpha]pyridine-3-carbonyl)-2-hydroxybenzonitrile CYP1B1, CYP8B1, HAO2 ALDH1A1 100/4885CYP1A2 51/4885CYP2C19 167/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 ALDH1A1 741/4885CYP1A2 1630/4885CYP2C19 3305/4885

“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.