SCHEMBL1330174

SCHEMBL1330174

NC(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
DGAT1 O75907 1/20 0.55
CASP1 P29466 2/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KMT2A Q03164 4/20 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
SCHEMBL1328959 0.83 DGAT1 (0.60) ALDH1A1DGAT1CASP1KDM4EGLA
Hydrogen Sulfide SCHEMBL28084823 0.82 DGAT1 (0.58) ALDH1A1DGAT1CASP1LMNAHTT
SCHEMBL18214 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDPOLBLMNA
SCHEMBL30356385 0.81 ALDH1A1 (0.61) ALDH1A1CASP1MAPTHPGDPOLB
SCHEMBL18163 0.81 ALDH1A1 (0.61) ALDH1A1CASP1MAPTHPGDPOLB
SCHEMBL28545012 0.81 ALDH1A1 (0.61) ALDH1A1CASP1MAPTHPGDPOLB
SCHEMBL30249448 0.81 ALDH1A1 (0.63) ALDH1A1MAPTHPGDPOLBLMNA
SCHEMBL2344362 0.80 DGAT1 (0.67) ALDH1A1DGAT1CASP1MAPTHPGD
SCHEMBL23850208 0.79 ALDH1A1 (0.50) ALDH1A1DGAT1MAPTHPGDPOLB
SCHEMBL31231782 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
EP-3962915-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2022-03-09 EP disclosed
CN-107674073-B 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridine compounds as modulators of protein kinases 印蔻真治疗公司 2021-09-10 CN disclosed
CN-113316577-A GLi1 inhibitors as therapeutic agents 纽约大学 2021-08-27 CN disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 WO disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 WO disclosed
US-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2020-03-17 US disclosed
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-07-18 US disclosed
EP-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP disclosed
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
EP-2173722-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis Ag (CH) 2010-04-14 EP disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
WO-2009013348-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2009-01-29 WO disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
EP-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 WO disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 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 (6 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 ALDH1A1 1779/4885DGAT1 3673/4885CASP1 1443/4885
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT ALDH1A1 1581/4885DGAT1 2631/4885CASP1 4649/4885
US-10590129-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases MAP4K2, MAP3K3, MAP3K1 ALDH1A1 3501/4885DGAT1 3497/4885CASP1 3749/4885
US-20090163463-A1 Organic Compounds PIK3C3, PIK3CA, MTOR ALDH1A1 2021/4885DGAT1 1431/4885CASP1 895/4885
US-20190218211-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 ALDH1A1 3373/4885DGAT1 3328/4885CASP1 3545/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 ALDH1A1 435/4885DGAT1 2807/4885CASP1 2395/4885

“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.