SCHEMBL2462969

SCHEMBL2462969

[CH2]c1cccc(Oc2ccccc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NR1H2 P55055 1/20 0.42
TSHR P16473 2/20 0.42
LTA4H P09960 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HRH1 P35367 1/20 0.39
CTNNB1 P35222 1/20 0.39

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
SCHEMBL3789538 0.85 DPP4 (0.57) DPP4ALDH1A1NPSR1NR1H2TSHR
SCHEMBL95189 0.81 LTA4H (0.52) DPP4ALDH1A1NR1H2TSHRLTA4H
SCHEMBL3667279 0.79 DPP4 (0.61) DPP4ALDH1A1NPSR1NR1H2TSHR
SCHEMBL27279963 0.79 LTA4H (0.50) DPP4ALDH1A1NR1H2TSHRLTA4H
SCHEMBL5543559 0.78 TSHR (0.44) DPP4ALDH1A1NPSR1TSHRLTA4H
SCHEMBL8830000 0.76 LTA4H (0.52) DPP4ALDH1A1NPSR1NR1H2TSHR
SCHEMBL10565943 0.76 LTA4H (0.42) DPP4ALDH1A1TSHRLTA4HKMT2A
SCHEMBL10547261 0.76 TSHR (0.42) DPP4ALDH1A1TSHRLTA4HKMT2A
SCHEMBL2465320 0.76 DPP4 (0.58) DPP4ALDH1A1NPSR1NR1H2TSHR
SCHEMBL9636814 0.76 DPP4 (0.49) DPP4ALDH1A1NPSR1NR1H2TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4713392-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-12-15 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 DPP4 1264/4885ALDH1A1 3613/4885NPSR1 2731/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 DPP4 1264/4885ALDH1A1 3613/4885NPSR1 2731/4885

“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.