SCHEMBL20185655

SCHEMBL20185655

CC(C)/N=C(\NCCCNCCCN(C)C)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
ALOX15 P16050 2/20 0.37
PAOX Q6QHF9 1/20 0.37
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
PKM P14618 1/20 0.33
DNM1 Q05193 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL18986129 1.00 KDM4E (0.46) KDM4ETDP1ALDH1A1MEN1HTT
SCHEMBL17187391 0.94 HPGD (0.38) KDM4ETDP1ALDH1A1MEN1HTT
SCHEMBL17187389 0.94 HPGD (0.38) KDM4ETDP1ALDH1A1MEN1HTT
SCHEMBL19971131 0.89 KDM1A (0.46) ALDH1A1MEN1KMT2AKDM1A
SCHEMBL13380623 0.89 KDM1A (0.46) ALDH1A1MEN1KMT2AKDM1A
SCHEMBL22068794 0.87 KDM1A (0.44) ALDH1A1KDM1A
SCHEMBL20185667 0.85 KDM1A (0.43) ALDH1A1KDM1A
SCHEMBL20185675 0.84 EPHX1 (0.41) KDM4EALDH1A1KDM1APAOX
SCHEMBL22068805 0.83 EPHX1 (0.37) ALDH1A1KDM1A
SCHEMBL19971140 0.81 CYP2C19 (0.40) MEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795649-A2 CATALYST WITH POLYSILOXANE STRUCTURE UNIT FOR CURABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2021-03-24 EP disclosed
US-10836868-B2 Catalyst having a polysiloxane structural unit for hardenable compositions SIKA TECHNOLOGY AG (CH) 2020-11-17 US disclosed
US-10414875-B2 Catalyst containing guanidine groups SIKA TECHNOLOGY AG (CH) 2019-09-17 US disclosed
US-20180327549-A1 CATALYST HAVING A POLYSILOXANE STRUCTURAL UNIT FOR HARDENABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-11-15 US disclosed
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-05-31 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 (2 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-10414875-B2 Catalyst containing guanidine groups GMPS, GMNN, RNMT KDM4E 998/4885TDP1 434/4885ALDH1A1 289/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN KDM4E 1003/4885TDP1 271/4885ALDH1A1 444/4885

“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.