SCHEMBL685227

SCHEMBL685227

O=C(N/N=C/c1ccccc1O)c1cc(I)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
KDM4E B2RXH2 4/20 0.63
MEN1 O00255 4/20 0.63
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM1A O60341 3/20 0.57
PIK3CG P48736 1/20 0.57
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
ALOX12 P18054 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
CTRC Q99895 1/20 0.54

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
SCHEMBL683826 0.85 KDM4E (0.63) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL684873 0.81 PIK3CG (0.63) KMT2AKDM4EMEN1TDP1KDM1A
SCHEMBL2605876 0.79 PPARG (0.66) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL685228 0.79 PIK3CG (0.59) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL1173698 0.78 MEN1 (1.00) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL76811 0.78 MEN1 (1.00) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL29599618 0.78 MEN1 (1.00) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL414436 0.78 MEN1 (1.00) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL29379900 0.78 MEN1 (1.00) KMT2AKDM4EMEN1HPGDTDP1
SCHEMBL685209 0.76 KMT2A (0.69) KMT2AKDM4EMEN1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KMT2A 1362/4885KDM4E 1473/4885MEN1 536/4885

“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.