SCHEMBL18706182

SCHEMBL18706182

CC(C)C(=O)N/N=C/N(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
BCAT1 P54687 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL18706184 1.00 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL29115046 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1LMNABCAT1
SCHEMBL29115049 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1LMNABCAT1
SCHEMBL29115043 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1LMNABCAT1
SCHEMBL12031316 0.75
SCHEMBL3031343 0.75
SCHEMBL15043322 0.75
SCHEMBL3031341 0.75
SCHEMBL18211354 0.73 THRB (0.55) KDM4ESMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL13963966 0.73 THRB (0.55) KDM4ESMN1; SMN2CYP1A2CYP2C19ALDH1A1

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
WO-2022266758-A1 CELL-SURFACE ENGINEERING COMPOSITIONS AND METHODS FOR THE PREVENTION OF IMMUNE REJECTION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-12-29 WO disclosed
EP-3359537-B1 TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10273217-B2 Triazole derivatives HOFFMANN-LA ROCHE INC. (US) 2019-04-30 US disclosed
US-20180237401-A1 TRIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
WO-2017060202-A1 TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 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 (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-20180237401-A1 TRIAZOLE DERIVATIVES MC2R, MC3R, OXTR KDM4E 2864/4885SMN1; SMN2 3878/4885CYP1A2 720/4885
US-10273217-B2 Triazole derivatives MC2R, MC3R, OXTR KDM4E 2864/4885SMN1; SMN2 3878/4885CYP1A2 720/4885

“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.