SCHEMBL13127032

SCHEMBL13127032

FC(F)(F)C[n+]1c(/C=C/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1/C=C/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.50
▸ HIF1A Q16665 1/20 0.44
▸ EPAS1 Q99814 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ DRD2 P14416 4/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL10069214 0.85 DRD4 (0.54) DRD4MAPTKDM4EALDH1A1DRD2
SCHEMBL10069911 0.83 MAPT (0.43) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL13126871 0.82 DRD4 (0.50) DRD4MAPTKDM4EALDH1A1DRD2
SCHEMBL10069275 0.73 INSR (0.37) KDM4EL3MBTL1GAA
SCHEMBL10069202 0.72 LCK (0.56) HIF1AMAPTLMNAKDM4EMEN1
SCHEMBL4392263 0.71 DRD4 (0.70) DRD4MAPTKDM4EALDH1A1DRD2
SCHEMBL13127035 0.71 ALOX5 (0.39) MAPTLMNAKDM4EALDH1A1L3MBTL1
SCHEMBL14139762 0.71 AHR (0.45) HIF1AEPAS1
SCHEMBL10069203 0.71 MEN1 (0.40) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10069279 0.71 MEN1 (0.41) MAPTLMNAMAPK1KDM4EALDH1A1

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
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — 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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP DRD4 422/4885HIF1A 4855/4885EPAS1 4469/4885

“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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