SCHEMBL3825697

SCHEMBL3825697

CCNCCCC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.48
CYP1A2 P05177 1/20 0.48
KDM1A O60341 5/20 0.41
SAT1 P21673 3/20 0.38
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 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
SCHEMBL23868460 1.00 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL22548516 0.93 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL7107023 0.93 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL24759345 0.91 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL23842136 0.91 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL5932551 0.90 TSHR (0.41) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL23221203 0.86 CYP2C19 (0.40) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL7107370 0.84
SCHEMBL20906860 0.83 TSHR (0.48) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL22511778 0.83 TSHR (0.42) CYP2C19MEN1GLAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
EP-3542824-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION Tokyo University of Science Foundation (JP) 2019-09-25 EP disclosed
EP-2094698-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D]PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 CYP2C19 2080/4885MEN1 3988/4885GLA 2897/4885

“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.