SCHEMBL20049934

SCHEMBL20049934

OC(CNC(c1ccccc1)c1ccccc1)COc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
CYP2D6 P10635 2/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCB1 P08183 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL20049938 0.90 CYP2D6 (0.69) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL20050195 0.83 KMT2A (0.47) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL9006022 0.82 KMT2A (0.70) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL9006023 0.82 KMT2A (0.70) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL11592418 0.80 KMT2A (0.53) KMT2AMEN1CYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL11593188 0.79 KMT2A (0.55) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL20049942 0.78 ADRB2 (0.51) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL6319902 0.77 KMT2A (0.66) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL7266770 0.75 PTGS1 (0.68) KMT2AMEN1CYP2D6ADRB2ADRB1
SCHEMBL9765823 0.75 KMT2A (0.52) KMT2AMEN1CYP2D6MAPTHTT

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-11673853-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-06-13 US disclosed
US-11673853-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-06-13 US disclosed
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS THE UNITED STATES AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS TECHNOLOGY TRANSFER PROGRAM (10P9TT) 2022-05-19 US disclosed
US-11040935-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-06-22 US disclosed
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-02-27 US disclosed
WO-2018067685-A1 SMALL MOLECULE AMPK ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-04-12 WO 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 (4 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-11673853-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 KMT2A 780/4885MEN1 2548/4885CYP2D6 4621/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 KMT2A 780/4885MEN1 2548/4885CYP2D6 4621/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 KMT2A 780/4885MEN1 2548/4885CYP2D6 4621/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 KMT2A 780/4885MEN1 2548/4885CYP2D6 4621/4885

“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.