SCHEMBL17178374

SCHEMBL17178374

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Br)c1NC(=O)c1cccc(N(CC)C(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
HDAC8 Q9BY41 3/20 0.42
ITK Q08881 2/20 0.41
TXK P42681 1/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL19513092 0.83 MLYCD (0.41) MLYCDHDAC8ITKTXKLMNA
SCHEMBL18356119 0.81 MLYCD (0.40) MLYCDHDAC8ITKTXKLMNA
SCHEMBL299222 0.81 MLYCD (0.41) MLYCDLMNAPOLBSMN1; SMN2GFER
SCHEMBL28494970 0.80 HDAC8 (0.40) MLYCDHDAC8MEN1KMT2ANPC1
SCHEMBL1766270 0.80 SIRT2 (0.39) MLYCDITKTXKLMNAPOLB
SCHEMBL1766851 0.80 SIRT2 (0.40) MLYCDITKTXKLMNAPOLB
SCHEMBL18355510 0.80 MLYCD (0.39) MLYCDHDAC8ITKTXKLMNA
SCHEMBL22402096 0.78 ITK (0.41) MLYCDHDAC8ITKTXKLMNA
SCHEMBL17178350 0.78 MLYCD (0.43) MLYCDHDAC8ITKTXKLMNA
SCHEMBL17178352 0.77 RXFP1 (0.35) MLYCDITKLMNAPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718762-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-08-01 US disclosed
US-20150291510-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-15 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-20150291510-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C MLYCD 1808/4885HDAC8 768/4885ITK 4211/4885

“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.