SCHEMBL4080077

SCHEMBL4080077

CC(C)(C)C#Cc1cnn(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
HTT P42858 3/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HCAR1 Q9BXC0 1/20 0.36
PKM P14618 1/20 0.36
HSP90AA1 P07900 1/20 0.36
POLB P06746 2/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MITF O75030 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL12365103 0.80 FLT3 (0.35) KMT2ASMN1; SMN2PKMPOLBMEN1
SCHEMBL4086479 0.76 NPC1 (0.37) NPC1MAPTRAB9AHPGDHSD17B10
SCHEMBL4074297 0.74 HSP90AA1 (0.41) HTTKMT2ASMN1; SMN2HCAR1PKM
SCHEMBL1206604 0.72 HSP90AA1 (0.52) HTTKMT2ASMN1; SMN2HCAR1PKM
SCHEMBL11488998 0.71 ALDH1A1 (0.40) HTTKMT2ASMN1; SMN2HCAR1PKM
SCHEMBL11477322 0.70 ALKBH2 (0.56) HTTKMT2AMEN1MAPTLMNA
SCHEMBL13597747 0.68 HSD17B10 (0.47) HTTKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL4209889 0.67 ALDH1A1 (0.57) HTTKMT2AMEN1HPGDHSD17B10
SCHEMBL14214068 0.66 TDP1 (0.38) HTTKMT2ASMN1; SMN2PKMPOLB
SCHEMBL5242261 0.65 ALDH1A1 (0.52) HTTKMT2AHCAR1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GRM5 1688/4885HTT 4392/4885KMT2A 1971/4885

“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.