SCHEMBL6645239

SCHEMBL6645239

O=[N+]([O-])c1ccc(OCCn2cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
PKM P14618 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
MAPT P10636 3/20 0.51
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL6646143 0.81 LTA4H (0.51) LTA4HPTGS1PTGS2PKMHRH3
SCHEMBL76423 0.81 KMT2A (0.64) LTA4HALDH1A1KDM4ELMNA
SCHEMBL6228523 0.80 MAPT (0.65) LTA4HPTGS1PTGS2HRH3ALDH1A1
SCHEMBL9570575 0.79 DRD2 (0.65) LTA4HPTGS1PTGS2HRH3ALDH1A1
SCHEMBL17323481 0.78 ALDH1A1 (0.48) PKMALDH1A1KDM4EMAPTLMNA
SCHEMBL5286113 0.78 DRD2 (0.73) PKMALDH1A1DRD2DRD4DRD3
SCHEMBL10556391 0.77 HRH3 (0.69) HRH3ALDH1A1DRD2DRD4DRD3
SCHEMBL10554981 0.77 HRH3 (0.69) HRH3ALDH1A1DRD2DRD4DRD3
SCHEMBL9570561 0.77 HRH3 (0.69) HRH3ALDH1A1DRD2DRD4DRD3
SCHEMBL10559291 0.77 HRH3 (0.69) HRH3ALDH1A1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795154-B Isoquinolinone derivatives for treating cancer 皮埃尔法布雷医药公司 2019-07-05 CN disclosed
CN-106795154-A For the isoquinolinone derivatives for the treatment of cancer 皮埃尔法布雷医药公司 2017-05-31 CN disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR LTA4H 3511/4885PTGS1 2719/4885PTGS2 3081/4885

“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.