SCHEMBL17367677

SCHEMBL17367677

CCCN1CCN(S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 3/20 0.52
SIGMAR1 Q99720 1/20 0.47
HTR6 P50406 6/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD3 P35462 1/20 0.45

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
SCHEMBL15915443 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HTR6PKMCYP3A4
SCHEMBL3087652 0.83 POLB (0.59) KDM4EALDH1A1KMT2AHTR6CYP3A4
SCHEMBL15917589 0.82 GAA (0.59) KDM4EALDH1A1KMT2A
SCHEMBL15914906 0.80 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2APKM
SCHEMBL10724375 0.78 POLB (0.67) MEN1KMT2ADRD2HTR6PKM
SCHEMBL29973515 0.77 TSHR (0.66) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL15917236 0.77 TSHR (0.71) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL15916530 0.76 TSHR (0.75) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL15916754 0.76 TSHR (0.75) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16733908 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R KDM4E 1984/4885ALDH1A1 200/4885MEN1 1999/4885

“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.