SCHEMBL24349271

SCHEMBL24349271

O=[N+]([O-])c1ccc(CCN2CCc3ccncc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.57
KCNH2 Q12809 10/20 0.57
ABCB1 P08183 4/20 0.56
ABCG2 Q9UNQ0 4/20 0.56
HRH3 Q9Y5N1 1/20 0.54
MAOA P21397 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL25343010 0.95 KCNJ1 (0.57) KCNJ1KCNH2ABCB1ABCG2HRH3
SCHEMBL7598211 0.84 ABCB1 (0.74) KCNJ1KCNH2ABCB1ABCG2HRH3
SCHEMBL30643086 0.81 ABCB1 (0.51) ABCB1ABCG2HRH3SIGMAR1
SCHEMBL24348790 0.81 ABCB1 (0.51) ABCB1ABCG2HRH3SIGMAR1
SCHEMBL24349919 0.78 ABCB1 (0.51) KCNJ1KCNH2ABCB1ABCG2HRH3
Water SCHEMBL10361432 0.76 KCNJ1 (0.68) KCNJ1KCNH2ABCB1ABCG2HRH3
SCHEMBL30643082 0.76 ABCB1 (0.51) ABCB1ABCG2HRH3SIGMAR1
SCHEMBL24348772 0.76 ABCB1 (0.51) ABCB1ABCG2HRH3SIGMAR1
Water SCHEMBL10361433 0.76 KCNJ1 (0.68) KCNJ1KCNH2ABCB1ABCG2HRH3
SCHEMBL15238463 0.76 MEN1 (0.68) HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
EP-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 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 (3 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-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 KCNJ1 1336/4885KCNH2 2416/4885ABCB1 1/4885
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 KCNJ1 2343/4885KCNH2 2583/4885ABCB1 1/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 KCNJ1 1336/4885KCNH2 2416/4885ABCB1 1/4885

“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.