SCHEMBL7449474

SCHEMBL7449474

N=C(N)c1ccc(OCc2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.89
PRSS1 P07477 3/20 0.89
PRSS2 P07478 3/20 0.89
PRSS3 P35030 3/20 0.89
TMPRSS6 Q8IU80 2/20 0.89
ST14 Q9Y5Y6 2/20 0.89

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
SCHEMBL7442771 1.00 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14543642 0.94 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23541143 0.93 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7091092 0.90 F2 (0.76) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7450261 0.88 F2 (0.72) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL10922350 0.88 F2 (0.86) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6629683 0.86 F2 (0.83) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23566292 0.85 PRSS1 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7448763 0.84 F2 (0.85) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7448742 0.84 F2 (0.80) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 US disclosed
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
WO-2021127452-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-06-24 WO disclosed
EP-1214291-A1 BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2002-06-19 EP disclosed
US-6380430-B1 ANTICOAGULANTS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) 2002-04-30 US disclosed
WO-2001021582-A1 BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-03-29 WO disclosed
EP-1076643-A1 BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2001-02-21 EP disclosed
WO-1999057096-A1 BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1999-11-11 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 (2 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 F2 1488/4885PRSS1 652/4885PRSS2 1318/4885
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 F2 1185/4885PRSS1 2689/4885PRSS2 538/4885

“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.