SCHEMBL23901895

SCHEMBL23901895

Cc1cc(COc2ccc(C(=N)N)cc2C)cc(COc2ccc(C(=N)N)cc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.55
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
F2 P00734 4/20 0.54
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
PARP10 Q53GL7 1/20 0.48

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
SCHEMBL23566116 0.86 PRSS1 (0.65) KLK1PRSS1PRSS2PRSS3F2
SCHEMBL23565999 0.86 KLK1 (0.52) KLK1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL23235770 0.85 PRSS1 (0.66) KLK1PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL23541342 0.85 F2 (0.53) KLK1PRSS1PRSS2PRSS3F2
SCHEMBL23901802 0.83 FFAR4 (0.47) KLK1PRSS1PRSS2PRSS3FFAR1
Hydrochloric Acid SCHEMBL23235737 0.82 FFAR4 (0.46) KLK1PRSS1PRSS2PRSS3F2
SCHEMBL12348323 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3F2
SCHEMBL23902311 0.81 FFAR4 (0.45) KLK1PRSS1PRSS2PRSS3FFAR1
SCHEMBL23566019 0.80 PRSS1 (0.84) PRSS1PRSS2PRSS3F2PARP10
Hydrochloric Acid SCHEMBL23235822 0.79 PRSS1 (0.81) PRSS1PRSS2PRSS3F2PARP10

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 KLK1 1869/4885PRSS1 652/4885PRSS2 1318/4885

“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.