SCHEMBL8946680

SCHEMBL8946680

N#Cc1ccc(C(F)(F)I)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCR6 P51684 4/20 0.36
CYP19A1 P11511 3/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP11B2 P19099 2/20 0.34
PTPN5 P54829 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL29480819 0.84 TRPV4 (0.52) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL524167 0.84 TRPV4 (0.52) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL8577924 0.82 KDM4E (0.41) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL1420598 0.81 KDM4E (0.40) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL29858989 0.81 ALDH1A1 (0.43) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL18397439 0.81 ALDH1A1 (0.43) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL18443350 0.80 KDM4E (0.37) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL12464107 0.78 KDM4E (0.38) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL18443352 0.77 HSD11B1 (0.38) KIF11KDM4EALDH1A1L3MBTL1CCR6
SCHEMBL1243269 0.76 ALDH1A1 (0.46) KIF11KDM4EALDH1A1L3MBTL1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135866-A1 INCREASING PLANT VIGOR DOW AGROSCIENCES LLC (US) 2012-05-31 US disclosed
US-8188292-B2 Insecticidal N-substituted (heteroaryl)alkyl sulfilimines DOW AGROSCIENCES, LLC (US) 2012-05-29 US disclosed
US-20100234398-A1 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILIMINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754888-B2 Insecticidal N-substituted (heteroaryl)alkyl sulfilimines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 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 (3 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-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines AANAT, GNMT, STS KIF11 4622/4885KDM4E 2799/4885ALDH1A1 2997/4885
US-20120135866-A1 INCREASING PLANT VIGOR HDLBP, VPS4B, VPS28 KIF11 2881/4885KDM4E 2544/4885ALDH1A1 3063/4885
US-20100234398-A1 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILIMINES AANAT, GNMT, STS KIF11 4622/4885KDM4E 2799/4885ALDH1A1 2997/4885

“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.