SCHEMBL1609746

SCHEMBL1609746

COC(=O)c1nc(C2CC2)nc(NCCCn2ccnc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL1610336 0.77 PGK1 (0.46) KMT2AMAPK1ALDH1A1MAPTMEN1
SCHEMBL1609242 0.77 TSHR (0.42) TP53MAPK1ALDH1A1MAPTTSHR
SCHEMBL1610980 0.76 PDE10A (0.51)
SCHEMBL1608985 0.76 PDE10A (0.47) KMT2AMAPK1ALDH1A1TSHRMEN1
SCHEMBL1610108 0.75 PDE10A (0.46) KMT2AALDH1A1MEN1HPGD
SCHEMBL1610967 0.74 BRAF (0.38) KMT2AALDH1A1LMNAKDM4E
SCHEMBL1610344 0.74 PDE10A (0.44) KMT2AMAPK1ALDH1A1MAPTTSHR
SCHEMBL1609457 0.74 KDM4E (0.42) ALDH1A1TSHRLMNAKDM4ESMN1; SMN2
SCHEMBL1609426 0.74 PDE10A (0.48) MAPK1ALDH1A1MAPTTSHRLMNA
SCHEMBL1608711 0.73 PDE10A (0.41) ALDH1A1CYP3A4CYP2D6SMN1; SMN2

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 SOD1 1433/4885GAA 1293/4885KMT2A 2003/4885

“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.