SCHEMBL21153746

SCHEMBL21153746

Nc1cccc(CCNCc2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NOS1 P29475 3/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ LTA4H P09960 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CYP2C9 P11712 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAOA P21397 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
SCHEMBL18994858 0.88 NOS1 (0.64) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL20495035 0.81 CYP19A1 (0.74) CYP3A4CYP19A1LMNAMAOAMAOB
SCHEMBL6675557 0.80 MAOA (0.63) CYP1A2CYP2D6CYP2C19CYP3A4CA12
SCHEMBL27688886 0.80 KDM4E (0.84) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL10399489 0.80 KDM4E (0.84) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL11127464 0.78 CYP19A1 (0.63) CYP1A2CYP2D6CYP2C19CYP3A4CYP19A1
SCHEMBL21153747 0.78 GAA (0.56) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL25695757 0.76 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19CYP3A4NOS1
SCHEMBL2595390 0.76 GAA (0.57) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL24046370 0.76 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E

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
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 — — US disclosed
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 (4 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 CYP1A2 3827/4885CYP2D6 4448/4885CYP2C19 4798/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 CYP1A2 4232/4885CYP2D6 4673/4885CYP2C19 4818/4885
US-20200223788-A1 SMALL MOLECULE DRUGS AND RELATED METHODS FOR TREATMENT OF DISEASES RELATED TO ABETA42 OLIGOMER FORMATION APP, PSEN2, PSEN1 CYP1A2 3827/4885CYP2D6 4448/4885CYP2C19 4798/4885
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA CYP1A2 4383/4885CYP2D6 3771/4885CYP2C19 4712/4885

“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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