SCHEMBL6162726

SCHEMBL6162726

COc1[c][nH]c2cccc(OC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.39
HTR6 P50406 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
PARP1 P09874 1/20 0.35

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
SCHEMBL4171658 0.81 GPR84 (0.37) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL2072979 0.81 ABCG2 (0.42) ABCG2HTR2AHTR2CHTR6HTR2B
SCHEMBL4720440 0.76 ABCG2 (0.42) ABCG2HTR2AHTR2CHTR6HTR2B
SCHEMBL7448786 0.74 CLK4 (0.35) HTR2BHPGDALDH1A1PARP1TP53
SCHEMBL7449646 0.72 LTK (0.35) MEN1KMT2AGAAHPGDKDM4E
SCHEMBL6008353 0.71 ABCG2 (0.65) ABCG2HTR2AHTR2CHTR6HTR2B
SCHEMBL2071022 0.71 ALDH1A1 (0.39) ABCG2MEN1KMT2ACA1CA2
SCHEMBL7111089 0.71 SMN1; SMN2 (0.42) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL4723685 0.71 ABCG2 (0.43) ABCG2MEN1KMT2AGAACA1
SCHEMBL7107722 0.69 TUBB4A (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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 (1 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-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E ABCG2 947/4885HTR2A 4709/4885HTR2C 4373/4885

“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.