SCHEMBL4214830

SCHEMBL4214830

COC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
GAA P10253 3/20 0.53
RAB9A P51151 2/20 0.53
MITF O75030 1/20 0.51
PIN1 Q13526 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
P2RX1 P51575 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 2/20 0.46
HTT P42858 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13802487 0.87 MITF (0.67) MAPTKMT2AMEN1GAARAB9A
SCHEMBL4209269 0.87 MAPT (0.70) MAPTKMT2AMEN1GAARAB9A
SCHEMBL13802481 0.87 MAPT (0.53) MAPTKMT2AMEN1GAARAB9A
SCHEMBL13802482 0.86 MAPT (0.52) MAPTKMT2AMEN1GAARAB9A
SCHEMBL13802476 0.79 PIN1 (0.49) MAPTKMT2AMEN1GAARAB9A
SCHEMBL17434413 0.78 ALDH1A1 (0.54) MAPTKMT2AMEN1GAARAB9A
SCHEMBL4211539 0.78 MAPT (0.72) MAPTKMT2AMEN1GAARAB9A
SCHEMBL4825507 0.74 P2RX1 (0.51) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL6160631 0.74 MAPT (0.72) MAPTKMT2AMEN1LMNAATM
SCHEMBL4208059 0.74 MAPT (0.70) MAPTKMT2AMEN1GAARAB9A

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 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 (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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 MAPT 6/4885KMT2A 2408/4885MEN1 694/4885

“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.