SCHEMBL12658705

SCHEMBL12658705

O=C(O)/C=C/c1ccc(-n2cncn2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
CA9 Q16790 2/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41
CA1 P00915 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL1875229 0.81 SLC22A12 (0.46) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL1875226 0.81 SLC22A12 (0.46) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL4463682 0.80 ALDH1A1 (0.58) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL614327 0.79 KMT2A (0.46) KMT2AALDH1A1MEN1APOBEC3AAPOBEC3G
SCHEMBL614326 0.79 KMT2A (0.46) KMT2AALDH1A1MEN1APOBEC3AAPOBEC3G
SCHEMBL1609906 0.78 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL1609905 0.78 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL5216726 0.77 SMN1; SMN2 (0.63) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL5216721 0.77 SMN1; SMN2 (0.63) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL1237488 0.76 TBXAS1 (0.52) ITGB2ICAM1ITGALKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ ITGB2 4116/4885ICAM1 4796/4885ITGAL 2239/4885

“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.