SCHEMBL23901932

SCHEMBL23901932

CCOC(=N)c1ccc(CCc2cc(C)cc(CCc3ccc(C(=N)OCC)cc3C)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
DAO P14920 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
NR3C2 P08235 1/20 0.30
NLRP3 Q96P20 1/20 0.30
PARP10 Q53GL7 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
Hydrochloric Acid SCHEMBL23235817 0.99 DGAT1 (0.40) DGAT1SMN1; SMN2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23880735 0.83 DGAT1 (0.44) DGAT1SMN1; SMN2PRSS1DAOCA12
SCHEMBL34433765 0.82 PRSS1 (0.51) PRSS1PRSS2PRSS3
SCHEMBL23901871 0.82 PRSS1 (0.51) PRSS1PRSS2PRSS3
SCHEMBL23901831 0.72 PARP10 (0.56) DGAT1PRSS1PRSS2PRSS3MAPT
SCHEMBL13108706 0.71 DGAT1 (0.62) DGAT1SMN1; SMN2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23235790 0.71 PARP10 (0.55) DGAT1PRSS1PRSS2PRSS3PARP10
SCHEMBL18869061 0.69 PRSS1 (0.48) DGAT1PRSS1PRSS2PRSS3LMNA
SCHEMBL10040530 0.69 DGAT1 (0.56) DGAT1SMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL15007064 0.69 DGAT1 (0.49) DGAT1PRSS1PRSS2PRSS3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 DGAT1 1713/4885SMN1; SMN2 3001/4885PRSS1 652/4885

“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.