SCHEMBL10399489

SCHEMBL10399489

Fc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.84
ALDH1A1 P00352 1/20 0.84
LTA4H P09960 1/20 0.76
EPHX2 P34913 1/20 0.76
GAA P10253 1/20 0.74
MAPT P10636 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.71
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
MPO P05164 1/20 0.63
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
BCHE P06276 1/20 0.60
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL8810102 0.90 LTA4H (0.94) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL12500537 0.90 KDM4E (0.69) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL3272134 0.90 GAA (0.91) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL11881258 0.90 GAA (0.91) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL3265257 0.89 SIGMAR1 (0.70) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL27228 0.88 GAA (0.95) KDM4EALDH1A1GAAMAPTMPO
Hydrochloric Acid SCHEMBL7320578 0.87 SIGMAR1 (0.68) KDM4EALDH1A1LTA4HEPHX2GAA
SCHEMBL25432637 0.86 GAA (0.91) KDM4EALDH1A1GAAMAPTMPO
Hydrochloric Acid SCHEMBL1983401 0.86 GAA (1.00) KDM4EALDH1A1GAAMAPTCYP2D6
Ammonia Solution, Strong SCHEMBL23581968 0.86 GAA (0.91) KDM4EALDH1A1GAAMAPTMPO

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 9 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-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
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
US-4977144-A ADENOSINE AGONISTS CIBA-GEIGY CORPORATION (US) 1990-12-11 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 KDM4E 4180/4885ALDH1A1 997/4885LTA4H 1192/4885
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 KDM4E 4863/4885ALDH1A1 4713/4885LTA4H 1435/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 KDM4E 4816/4885ALDH1A1 4482/4885LTA4H 1969/4885
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 KDM4E 4369/4885ALDH1A1 4676/4885LTA4H 4746/4885

“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.