SCHEMBL18074396

SCHEMBL18074396

CCCCN(CCCNC(=O)O)CCCNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.47
ALDH1A1 P00352 2/20 0.47
PHF8 Q9UPP1 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
DNM1 Q05193 1/20 0.44
EPHX1 P07099 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NAAA Q02083 1/20 0.41
GAA P10253 1/20 0.41
ACHE P22303 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
SCHEMBL7617282 1.00 KDM5A (0.47) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL17848972 0.92 ALDH1A1 (0.49) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL11146017 0.92 DRD2 (0.49) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL4157740 0.92 ALDH1A1 (0.49) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL15570032 0.89 CA12 (0.43) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL20589935 0.88 EPHX1 (0.55) KDM5APHF8KDM4CDNM1EPHX1
SCHEMBL20548058 0.87 NAAA (0.47) KDM5AALDH1A1PHF8KDM4CDNM1
SCHEMBL28075681 0.86 DRD2 (0.55) KDM5AALDH1A1PHF8KDM4CEPHX1
SCHEMBL21525430 0.85 EPHX1 (0.61) KDM5AALDH1A1DNM1EPHX1CA12
SCHEMBL17415969 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAKMT2AGAA

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-20180244924-A1 Cationic Direct Dyes BASF SE (DE) 2018-08-30 US disclosed
EP-3271423-A1 CATIONIC DIRECT DYES BASF SE (DE) 2018-01-24 EP disclosed
WO-2016146813-A1 CATIONIC DIRECT DYES BASF SE (DE) 2016-09-22 WO 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-20180244924-A1 Cationic Direct Dyes H1-0, TPH1, H1-2 KDM5A 482/4885ALDH1A1 39/4885PHF8 916/4885

“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.