SCHEMBL4977421

SCHEMBL4977421

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)NCc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRK1 P41145 1/20 0.42
ENPP2 Q13822 3/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FGFR1 P11362 1/20 0.40
P2RX7 Q99572 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3034821 0.85 ATG4B (0.50) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3034391 0.84 L3MBTL1 (0.47) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3042107 0.84 SMN1; SMN2 (0.64) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3046393 0.82 KMT2A (0.48) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3042156 0.82 GAA (0.49) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL4976581 0.81 MAPT (0.49) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL4975075 0.80 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL4974430 0.79 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL3038519 0.78 MAPT (0.47) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL27645559 0.78 CYP3A4 (0.48) KMT2AMEN1ALDH1A1HTTMAPT

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-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 2077/4885MEN1 1446/4885ALDH1A1 1336/4885

“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.