SCHEMBL1362336

SCHEMBL1362336

Nc1cccc(C(=O)Nc2c(Br)cc(OC(F)(F)C(F)C(F)(F)F)cc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
TSHR P16473 2/20 0.41
ABL1 P00519 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HDAC3 O15379 1/20 0.39
BRAF P15056 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL1360480 0.83 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1360722 0.80 MEN1 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16430397 0.76 ALDH1A1 (0.57) PTGS1ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL3135074 0.72 PTGS1 (0.48) PTGS1ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL699014 0.71 PTGS1 (0.47) PTGS1ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL21652233 0.70 HDAC8 (0.51) NPSR1SMN1; SMN2TSHRTAS1R3TAS1R1
SCHEMBL404470 0.70 PTGS1 (0.51) PTGS1ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL1359787 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRMAPT
SCHEMBL1360508 0.70 PTGS1 (0.46) PTGS1ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL2103789 0.70 PTGS1 (0.46) PTGS1ALDH1A1KDM4ENPSR1HSD17B10

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-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 PTGS1 1450/4885ALDH1A1 427/4885KDM4E 496/4885

“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.