SCHEMBL20129863

SCHEMBL20129863

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.46
▸ RPS6KB1 P23443 2/20 0.46
▸ SERPINE1 P05121 2/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ KCNQ3 O43525 2/20 0.44
▸ KCNQ2 O43526 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ APP P05067 3/20 0.42
▸ IP6K1 Q92551 1/20 0.41
▸ IP6K3 Q96PC2 1/20 0.41
▸ IP6K2 Q9UHH9 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29721814 1.00 AURKA (0.46) AURKARPS6KB1SERPINE1CYP19A1KCNQ3
SCHEMBL29721739 0.86 KCNQ2 (0.58) SERPINE1CYP19A1KCNQ3KCNQ2HTR6
SCHEMBL20134036 0.86 KCNQ2 (0.58) SERPINE1CYP19A1KCNQ3KCNQ2HTR6
SCHEMBL20129869 0.84 MAPT (0.48) KCNQ3KCNQ2HTR6MAPTMEN1
SCHEMBL20129862 0.83 HTR6 (0.56) HTR6APPMAPTMEN1KMT2A
SCHEMBL20133926 0.82 HTR6 (0.43) HTR6APPMAPTMEN1KMT2A
SCHEMBL21501788 0.82 GAA (0.42) KCNQ3KCNQ2TDO2MAPTMEN1
SCHEMBL29721701 0.82 GAA (0.42) KCNQ3KCNQ2TDO2MAPTMEN1
SCHEMBL20129864 0.82 APP (0.48) AURKARPS6KB1KCNQ3KCNQ2RXFP1
SCHEMBL29721496 0.82 APP (0.48) AURKARPS6KB1KCNQ3KCNQ2RXFP1

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-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
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
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
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 AURKA 930/4885RPS6KB1 883/4885SERPINE1 4539/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 AURKA 1190/4885RPS6KB1 1965/4885SERPINE1 4367/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 AURKA 930/4885RPS6KB1 883/4885SERPINE1 4539/4885

“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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