SCHEMBL3782270

SCHEMBL3782270

CCOC(=O)c1cc(F)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
PTGER4 P35408 1/20 0.41
ESR1 P03372 1/20 0.40
THRB P10828 2/20 0.40
SRD5A2 P31213 1/20 0.39
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL13062125 0.90 KMT2A (0.45) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL13011054 0.87 KMT2A (0.46) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL309507 0.87 HTT (0.44) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL20298763 0.80 NPC1 (0.43) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL3354100 0.78 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL27248745 0.78 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL3780586 0.76 ESR1 (0.58) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL3434982 0.76 TDP1 (0.41) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL13011311 0.75 KMT2A (0.48) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL22491439 0.74 VCAM1 (0.46) KMT2AALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E KMT2A 1785/4885ALDH1A1 2104/4885NPC1 1574/4885

“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.