SCHEMBL2464557

SCHEMBL2464557

[CH2]c1ccccc1OCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
DRD5 P21918 1/20 0.62
POLB P06746 1/20 0.59
KDM4E B2RXH2 3/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LTA4H P09960 1/20 0.54
TSHR P16473 1/20 0.54
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 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
SCHEMBL14578233 0.84 DRD1 (0.65) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6997049 0.83 DRD1 (0.72) DRD1DRD4DRD5POLBKDM4E
SCHEMBL3405632 0.81 KDM4E (0.86) DRD1DRD4DRD5POLBKDM4E
SCHEMBL15336695 0.81 DRD1 (0.62) DRD1DRD4DRD5POLBKDM4E
SCHEMBL12058633 0.81 TDP1 (0.74) DRD1DRD4DRD5POLBKDM4E
SCHEMBL5319656 0.81 KDM4E (0.70) DRD1DRD4DRD5POLBKDM4E
SCHEMBL14396561 0.81 POLB (0.63) DRD1DRD4DRD5POLBKDM4E
SCHEMBL1853220 0.81 DRD1 (0.62) DRD1DRD4DRD5POLBKDM4E
Ammonia Solution, Strong SCHEMBL4267670 0.80 KDM4E (0.68) DRD1DRD4DRD5POLBKDM4E
SCHEMBL4024630 0.79 DRD1 (0.71) DRD1DRD4DRD5POLBKDM4E

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 10 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

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 DRD1 4522/4885DRD4 4280/4885DRD5 3687/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 DRD1 4522/4885DRD4 4280/4885DRD5 3687/4885

“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.