SCHEMBL20133926

SCHEMBL20133926

Nc1c([N+](=O)[O-])ccc(NCc2cccc(S(F)(F)(F)(F)F)c2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 7/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ APP P05067 2/20 0.37
▸ CRHBP P24387 2/20 0.37

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
SCHEMBL20129869 0.84 MAPT (0.48) HTR6MEN1KMT2AMAPTUSP2
SCHEMBL20129862 0.83 HTR6 (0.56) HTR6MEN1KMT2AMAPTUSP2
SCHEMBL20129863 0.82 AURKA (0.46) HTR6MEN1KMT2AMAPTNPC1
SCHEMBL29721814 0.82 AURKA (0.46) HTR6MEN1KMT2AMAPTNPC1
SCHEMBL17749119 0.82 KCNQ3 (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17749078 0.78 KCNQ2 (0.47) —
SCHEMBL15348124 0.78 KCNQ3 (0.51) HTR6MEN1KMT2AMAPTUSP2
SCHEMBL17761665 0.78 MAPT (0.46) HTR6MEN1KMT2AMAPTCYP3A4
SCHEMBL20129873 0.76 MAPT (0.57) HTR6MEN1KMT2AMAPTHTT
SCHEMBL15357266 0.76 MAPT (0.46) HTR6MEN1KMT2AMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
WO-2019203951-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-10-24 — — WO disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — 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-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS KCNH3, KCNH2, KCNJ11 HTR6 712/4885MEN1 1257/4885KMT2A 905/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 HTR6 829/4885MEN1 1794/4885KMT2A 811/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 HTR6 712/4885MEN1 1257/4885KMT2A 905/4885

“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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