SCHEMBL23902204

SCHEMBL23902204

COc1cc(C(=N)N)ccc1COc1cccc(OCc2ccc(C(=N)N)cc2OC)c1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.51
F2 P00734 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HPGD P15428 1/20 0.42
F10 P00742 1/20 0.42
F9 P00740 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42

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
SCHEMBL23902170 0.85 F2 (0.48) PRSS1F2PRSS2PRSS3
SCHEMBL34433796 0.85 F2 (0.48) PRSS1F2PRSS2PRSS3
SCHEMBL23566125 0.84 PRSS1 (0.62) PRSS1F2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL23235840 0.83 PRSS1 (0.63) PRSS1F2MEN1KMT2ASMN1; SMN2
SCHEMBL34433872 0.81 PRSS1 (0.50) PRSS1F2PRSS2PRSS3F10
SCHEMBL23901925 0.81 PRSS1 (0.50) PRSS1F2PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL23235792 0.80 PRSS1 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL23901893 0.77 PRSS1 (0.52) PRSS1F2MEN1KMT2ASMN1; SMN2
SCHEMBL23902317 0.77 PRSS1 (0.46) PRSS1F2MEN1KMT2APRSS2
Hydrochloric Acid SCHEMBL23880725 0.76 PRSS1 (0.53) PRSS1F2MEN1KMT2ASMN1; SMN2

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 652/4885F2 1488/4885MEN1 574/4885

“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.