SCHEMBL9909201

SCHEMBL9909201

COC(=O)c1ccc2ncc(C)c(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
NOTUM Q6P988 2/20 0.42
GAA P10253 2/20 0.42
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 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
SCHEMBL10030428 0.81 NOTUM (0.48) NOTUMGAAKDM4EALDH1A1PKM
SCHEMBL9909152 0.79 HTT (0.46) PAX8NOTUMGAACREBBPKDM4E
SCHEMBL9907552 0.77 GAA (0.54) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL9907355 0.76 PAX8 (0.49) PAX8GAACREBBPKDM4EALDH1A1
SCHEMBL9907354 0.75 PAX8 (0.48) PAX8GAACREBBPKDM4EALDH1A1
SCHEMBL1187812 0.75 PPARA (0.46) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL14616750 0.74 NOTUM (0.53) NOTUMGAAKDM4EALDH1A1PKM
SCHEMBL7345215 0.74 NOTUM (0.64) NOTUMGAAKDM4EALDH1A1PKM
SCHEMBL9907537 0.74 PAX8 (0.47) PAX8GAACREBBPKDM4EALDH1A1
SCHEMBL16502437 0.74 NOTUM (0.42) NOTUMGAAKDM4EALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PAX8 4597/4885NOTUM 1086/4885GAA 1699/4885

“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.