SCHEMBL23235800

SCHEMBL23235800

COc1cc(C#N)ccc1OCc1cccc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.48
▸ AR P10275 4/20 0.45
▸ ICMT O60725 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ HTR6 P50406 2/20 0.40

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 SCHEMBL23235782 0.99 MRGPRX4 (0.47) MRGPRX4ARICMTALDH1A1SMN1; SMN2
SCHEMBL29741540 0.88 AR (0.45) MRGPRX4ARICMTALDH1A1SLC6A4
SCHEMBL23566024 0.88 AR (0.45) MRGPRX4ARICMTALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL29741557 0.87 AR (0.44) MRGPRX4ARICMTALDH1A1SLC6A4
SCHEMBL23235773 0.85 MRGPRX4 (0.51) MRGPRX4ARSLC6A4HTR6
Hydrochloric Acid SCHEMBL23235835 0.84 MRGPRX4 (0.50) MRGPRX4ARSLC6A4HTR6
SCHEMBL3490042 0.83 MAOB (0.57) MRGPRX4ARALDH1A1SMN1; SMN2MAPT
SCHEMBL23540967 0.81 MAOB (0.59) AR
SCHEMBL20076960 0.78 MRGPRX4 (0.60) MRGPRX4ARALDH1A1SMN1; SMN2SLC6A4
SCHEMBL6766128 0.77 MAOB (0.57) MRGPRX4ARALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230105108-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-04-06 — — US disclosed
EP-4076420-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS Georgia State University Research Foundation, Inc. (US) 2022-10-26 — — EP disclosed
CN-114845708-A Compounds for treating bacterial infections and enhancing antibiotics 乔治亚州大学研究基金会 2022-08-02 — — CN 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-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 (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 MRGPRX4 546/4885AR 4411/4885ICMT 1977/4885
US-20230105108-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS BPGM, MYD88, PGLS MRGPRX4 1026/4885AR 4523/4885ICMT 421/4885

“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.

Send feedback