SCHEMBL7598211

SCHEMBL7598211

O=[N+]([O-])c1ccc(CCN2CCc3ccccc3C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.74
ABCG2 Q9UNQ0 4/20 0.74
KCNJ1 P48048 6/20 0.64
KCNH2 Q12809 5/20 0.64
HRH3 Q9Y5N1 1/20 0.61
SIGMAR1 Q99720 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOA P21397 1/20 0.54

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
SCHEMBL3158207 0.86 MEN1 (0.59) ABCB1ABCG2KCNJ1SIGMAR1ALDH1A1
SCHEMBL6491669 0.86 ABCB1 (0.58) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL25343010 0.84 KCNJ1 (0.57) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL24349271 0.84 KCNJ1 (0.57) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL3149701 0.81 KDM4E (0.63) KCNJ1SIGMAR1ALDH1A1MAPTSMN1; SMN2
Water SCHEMBL10361432 0.81 KCNJ1 (0.68) ABCB1ABCG2KCNJ1KCNH2HRH3
Water SCHEMBL10361433 0.81 KCNJ1 (0.68) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL8789944 0.81 KCNJ1 (0.67) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL8790326 0.81 KCNJ1 (0.67) ABCB1ABCG2KCNJ1KCNH2HRH3
SCHEMBL6512477 0.81 HRH3 (0.68) HRH3SIGMAR1ALDH1A1

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
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
EP-0782567-B2 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 2002-12-11 EP disclosed
EP-0782567-B1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 1999-06-30 EP disclosed
US-5721247-A Isothiourea derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1998-02-24 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 (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-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 ABCB1 1/4885ABCG2 18/4885KCNJ1 1336/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 ABCB1 1/4885ABCG2 18/4885KCNJ1 1336/4885

“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.