SCHEMBL21153747

SCHEMBL21153747

Nc1cc(F)cc(CCNCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LTA4H P09960 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NOS1 P29475 2/20 0.47
▸ MPO P05164 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL18994858 0.78 NOS1 (0.64) KDM4EMEN1KMT2ANOS1MPO
SCHEMBL21153746 0.78 CYP1A2 (0.58) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL6675557 0.77 MAOA (0.63) GAAMAPTMEN1KMT2ATDP1
SCHEMBL27688886 0.76 KDM4E (0.84) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL10399489 0.76 KDM4E (0.84) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL2893629 0.76 GAA (0.74) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL27228 0.75 GAA (0.95) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL21153745 0.75 GAA (0.56) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL4264872 0.75 GAA (0.56) GAAMAPTKDM4EALDH1A1LTA4H
SCHEMBL11877395 0.74 GAA (0.76) GAAMAPTKDM4EALDH1A1MEN1

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-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION ACELOT, INC. 2020-07-16 — — US disclosed
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation ACELOT, INC. (US) 2020-07-07 — — US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 — — 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 (3 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 GAA 401/4885MAPT 6/4885KDM4E 4863/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 GAA 238/4885MAPT 5/4885KDM4E 4816/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 GAA 401/4885MAPT 6/4885KDM4E 4863/4885

“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.

Send feedback