SCHEMBL23235773

SCHEMBL23235773

CC(C)(C)c1cccc(COc2ccc(C#N)cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 9/20 0.51
▸ AR P10275 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ SLK Q9H2G2 2/20 0.40
▸ STK10 O94804 1/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MAOB P27338 1/20 0.39

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 SCHEMBL23235835 0.99 MRGPRX4 (0.50) MRGPRX4ARS1PR1S1PR5HTR6
SCHEMBL23541195 0.88 MRGPRX4 (0.43) MRGPRX4ARSLKSTK10LRRK2
Hydrochloric Acid SCHEMBL34433935 0.87 MRGPRX4 (0.42) MRGPRX4ARSLKSTK10LRRK2
SCHEMBL23235800 0.85 MRGPRX4 (0.48) MRGPRX4ARHTR6SLC6A4
Hydrochloric Acid SCHEMBL23235782 0.84 MRGPRX4 (0.47) MRGPRX4ARHTR6SLC6A4
SCHEMBL23540967 0.81 MAOB (0.59) ARMAOB
SCHEMBL1060980 0.81 MAOB (0.58) MRGPRX4S1PR5SLKSTK10MAOB
SCHEMBL13439831 0.76 MAOB (0.52) MRGPRX4MAOB
SCHEMBL19421176 0.76 L3MBTL1 (0.48) MRGPRX4SLC6A4MAOB
SCHEMBL23541002 0.76 MRGPRX4 (0.44) MRGPRX4ARHTR6SLKSTK10

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 3 patents. 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
EP-3806836-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS Georgia State University Research Foundation, Inc. (US) 2021-04-21 — — EP disclosed
CN-112566631-A Amidines and amidine analogs for the treatment of bacterial infections and potentiation of antibiotics 乔治亚州大学研究基金会 2021-03-26 — — CN 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 MRGPRX4 546/4885AR 4411/4885S1PR1 3499/4885

“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.

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