SCHEMBL4074297

SCHEMBL4074297

O=[N+]([O-])c1ccccc1-n1cc(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HCAR1 Q9BXC0 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1206604 0.80 HSP90AA1 (0.52) HSP90AA1KMT2AHTTSMN1; SMN2HCAR1
SCHEMBL11488998 0.79 ALDH1A1 (0.40) HSP90AA1KMT2AHTTSMN1; SMN2HCAR1
SCHEMBL11477322 0.78 ALKBH2 (0.56) KMT2AHTTMAPTMEN1ALDH1A1
SCHEMBL26618162 0.74 ALDH1A1 (0.47) HSP90AA1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL4080077 0.74 GRM5 (0.36) HSP90AA1KMT2AHTTSMN1; SMN2HCAR1
SCHEMBL5242261 0.72 ALDH1A1 (0.52) KMT2AHTTHCAR1MAPTMEN1
SCHEMBL30426426 0.72 ALDH1A1 (0.52) KMT2AHTTHCAR1MAPTMEN1
SCHEMBL5216617 0.72 NPC1 (0.53) HSP90AA1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL17152833 0.71 BCHE (0.44) KMT2APKMMAPTMEN1RAB9A
SCHEMBL31009041 0.71 KMT2A (0.51) KMT2AMAPTMEN1POLBALDH1A1

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
CN-1972933-B Heterocyclic carboxamides having microbiocidal activity SYNGENTA PARTICIPATIONS AG 2012-07-18 CN disclosed
US-7553798-B2 Heterocyclic carboxamides with microbiocidal activity SYNGENTA CROP PROTECTION, INC. (US) 2009-06-30 US disclosed
US-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity SYNGENTA CROP PROTECTION, INC. (US) 2008-06-05 US disclosed
CN-1972933-A Heterocyclic carboxamides having microbiocidal activity SYNGENTA PARTICIPATIONS AG (CH) 2007-05-30 CN disclosed
EP-1758894-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY Syngeta Participations AG (CH) 2007-03-07 EP disclosed
WO-2005123722-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2005-12-29 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-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity MPO, FPR1, CD14 HSP90AA1 2461/4885KMT2A 1971/4885HTT 4392/4885

“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.