SCHEMBL2819044

SCHEMBL2819044

O=C1c2ccccc2C(=O)N1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 11/20 0.66
▸ HRH1 P35367 11/20 0.66
▸ ADRA1B P35368 11/20 0.66
▸ HRH3 Q9Y5N1 7/20 0.64
▸ KCNH2 Q12809 4/20 0.57
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GABRA1 P14867 2/20 0.47
▸ GABRA2 P47869 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL2430493 0.83 HRH1 (0.74) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2819033 0.83 ADRA1A (0.72) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL13890824 0.78 HRH1 (0.72) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2429871 0.77 HRH1 (0.64) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2436781 0.75 ADRA1A (0.73) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL1790852 0.74 ADRA1A (0.60) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL13266215 0.71 ADRA1A (0.71) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL18669052 0.70 CASP3 (0.65) ADRA1AADRA1BKDM4EALDH1A1
SCHEMBL2429351 0.70 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL4791221 0.70 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 — — EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 — — US disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 — — 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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 ADRA1A 362/4885HRH1 4/4885ADRA1B 308/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 ADRA1A 150/4885HRH1 4/4885ADRA1B 134/4885

“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.

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