SCHEMBL2877893

SCHEMBL2877893

Nc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAOB P27338 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TLR9 Q9NR96 1/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
PTPN1 P18031 1/20 0.47
F2 P00734 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 SCHEMBL7983144 0.98 RAB9A (0.55) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL5515930 0.86 MAOB (0.53) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL5659691 0.84 MAOB (0.58) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL24686580 0.83 MAOB (0.56) SMN1; SMN2MAOBPTPN1
SCHEMBL143579 0.83 MAOB (0.61) MAOBMAPTF2
SCHEMBL18605371 0.82 MAOB (0.70) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL26621350 0.82 MAOB (0.47) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL30835101 0.82 RAB9A (0.59) RAB9ASMN1; SMN2MAOBL3MBTL1PTPN1
SCHEMBL7898169 0.82 RAB9A (0.59) RAB9ASMN1; SMN2MAOBL3MBTL1PTPN1
Hydrochloric Acid SCHEMBL11596441 0.82 GAA (0.56) RAB9ASMN1; SMN2MAOBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
WO-2017159484-A1 2,4-DIAMINOPHENOL DERIVATIVE, AND AGENT FOR INHIBITING AGGREGATION OF TAU AND/OR AMYLOID β 学校法人同志社 2017-09-21 WO disclosed
WO-2011069951-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2011-06-16 WO disclosed
US-7189734-B2 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20060189637-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies COCKERILL GEORGE S 2006-08-24 US disclosed
US-7084147-B2 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-phenylsulphonyl-ethylamino)methyl)-thiazol-4-yl)-quinazolin-4-yl)-amine SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-6933299-B1 Anilinoquinazolines as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-08-23 US disclosed
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine COCKERILL GEORGE S (GB) 2005-06-30 US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 WO disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH RAB9A 2106/4885SMN1; SMN2 4650/4885MAOB 587/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH RAB9A 2087/4885SMN1; SMN2 3485/4885MAOB 48/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH RAB9A 2087/4885SMN1; SMN2 3485/4885MAOB 48/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH RAB9A 2672/4885SMN1; SMN2 4623/4885MAOB 753/4885
US-20060189637-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies ABL1, ERBB2, SRC RAB9A 2360/4885SMN1; SMN2 4667/4885MAOB 1136/4885
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine ABL1, ERBB2, ERBB4 RAB9A 1879/4885SMN1; SMN2 3783/4885MAOB 1566/4885

“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.