SCHEMBL535457

SCHEMBL535457

O=[N+]([O-])c1cc(Cl)ccc1CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
TSHR P16473 1/20 0.52
VCAM1 P19320 1/20 0.49
ACLY P53396 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KIF18A Q8NI77 1/20 0.43
FLT1 P17948 1/20 0.42

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
SCHEMBL29836060 1.00 MAPK1 (0.52) MAPK1TSHRVCAM1ACLYCYP1A2
Ammonia Solution, Strong SCHEMBL28325235 0.98 MAPK1 (0.50) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL358223 0.88 ACLY (0.52) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL67536 0.87 MAPK1 (0.53) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL67686 0.85 ALDH1A1 (0.58) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL535249 0.84 MAPK1 (0.53) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL5149992 0.82 MAPK1 (0.52) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL5740032 0.82 MAPK1 (0.52) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL536046 0.82 ACLY (0.42) MAPK1TSHRVCAM1ACLYCYP1A2
SCHEMBL357928 0.81 PDK1 (0.55) MAPK1TSHRVCAM1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059916-A Pt/NiZnFe-LDH@C3N4Catalyst, preparation method and application thereof 南京工业大学 2024-05-24 CN disclosed
CN-115010646-B Photoinduction synthesis method of indolone compound 南京大学 2024-02-06 CN disclosed
CN-115010646-A Photoinduction synthesis method of indolone compounds 南京大学 2022-09-06 CN disclosed
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
CN-102718775-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV 2012-10-10 CN disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US disclosed
WO-2003091257-A1 [1,4]DIAZOCINO [7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 WO disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 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 (3 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 MAPK1 3902/4885TSHR 496/4885VCAM1 4576/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 MAPK1 4018/4885TSHR 362/4885VCAM1 4741/4885
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D MAPK1 997/4885TSHR 259/4885VCAM1 3541/4885

“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.