SCHEMBL23901822

SCHEMBL23901822

Cc1cc(CSc2ccc(C(=N)N)cc2C)cc(CSc2ccc(C(=N)N)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.49
PRSS2 P07478 5/20 0.49
PRSS3 P35030 5/20 0.49
C1S P09871 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 2/20 0.36
F2 P00734 7/20 0.35
F10 P00742 4/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL23902305 0.83 PRSS1 (0.48) PRSS1PRSS2PRSS3C1SF10
Hydrochloric Acid SCHEMBL23235809 0.82 PRSS1 (0.49) PRSS1PRSS2PRSS3F2F10
SCHEMBL23565998 0.80 PRSS1 (0.44) PRSS1PRSS2PRSS3C1STAAR1
Hydrochloric Acid SCHEMBL23541192 0.79 PRSS1 (0.43) PRSS1PRSS2PRSS3C1STAAR1
SCHEMBL34433765 0.73 PRSS1 (0.51) PRSS1PRSS2PRSS3C1SF2
SCHEMBL23901871 0.73 PRSS1 (0.51) PRSS1PRSS2PRSS3C1SF2
SCHEMBL23902322 0.72 HDAC3 (0.50) PRSS1PRSS2PRSS3C1SIDO1
Hydrochloric Acid SCHEMBL23880714 0.71 HDAC3 (0.49) PRSS1PRSS2PRSS3C1SIDO1
SCHEMBL23901895 0.71 KLK1 (0.55) PRSS1PRSS2PRSS3F2
SCHEMBL23901852 0.71 PRSS1 (0.49) PRSS1PRSS2PRSS3C1SIDO1

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 PRSS1 652/4885PRSS2 1318/4885PRSS3 1397/4885

“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.