SCHEMBL22130445

SCHEMBL22130445

O=C(Nc1nnn[nH]1)c1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
HTR6 P50406 4/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNFSF11 O14788 3/20 0.41
TNF P01375 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CREBBP Q92793 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
RORC P51449 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NAMPT P43490 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL22130470 0.80 PARP1 (0.45) SMN1; SMN2
SCHEMBL22130472 0.79 CREBBP (0.42) LMNACREBBP
SCHEMBL12748628 0.78 AKR1C3 (0.62) PLK1HTR6MEN1KMT2ALMNA
SCHEMBL22130457 0.72 L3MBTL1 (0.57) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22130458 0.72 L3MBTL1 (0.57) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22130449 0.71 HTR6 (0.54) HTR6LMNARORC
SCHEMBL20562068 0.70 MEN1 (0.56) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20562066 0.70 MEN1 (0.56) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22130454 0.70 MEN1 (0.56) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20561366 0.70 LMNA (0.46) HTR6MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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 (1 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA PLK1 1454/4885HTR6 4033/4885MEN1 3198/4885

“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.