SCHEMBL21243754

SCHEMBL21243754

CCS(=O)(=O)c1cc2cc(C(C)=NOCC(F)(F)F)ccc2nc1-c1nc2cc(SC(F)(F)F)ccc2o1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.31
▸ UTRN P46939 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL21243753 1.00 HDAC6 (0.31) HDAC6UTRNCYP1A2AHRHDAC3
SCHEMBL21243731 0.89 HDAC6 (0.34) HDAC6UTRNCYP1A2AHRHDAC3
SCHEMBL21243733 0.89 HDAC6 (0.34) HDAC6UTRNCYP1A2AHRHDAC3
SCHEMBL21243750 0.86 HDAC6 (0.35) HDAC6UTRNCYP1A2AHRHDAC3
SCHEMBL21810435 0.81 CYP1A2 (0.30) HDAC6UTRNCYP1A2AHR
SCHEMBL21525980 0.81 CYP1A2 (0.30) HDAC6UTRNCYP1A2AHR
SCHEMBL21243736 0.80 UTRN (0.37) HDAC6UTRNCYP1A2AHR
SCHEMBL21919003 0.80 UTRN (0.31) UTRN
SCHEMBL18795103 0.79 UTRN (0.45) HDAC6UTRNCYP1A2AHR
SCHEMBL18760366 0.76 UTRN (0.31) HDAC6UTRNCYP1A2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536688-B1 QUINOLINE COMPOUND HAVING OXIME GROUP, N-OXIDE OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING SAME AND METHOD FOR USE THEREOF NIHON NOHYAKU CO LTD (JP) 2023-03-29 — — EP disclosed
US-10435411-B2 Oxime group-containing quinoline compound, N-oxide thereof or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-10-08 — — US disclosed
EP-3536688-A1 QUINOLINE COMPOUND HAVING OXIME GROUP, N-OXIDE OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING SAME AND METHOD FOR USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2019-09-11 — — EP disclosed
US-20190248796-A1 OXIME GROUP-CONTAINING QUINOLINE COMPOUND, N-OXIDE THEREOF OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2019-08-15 — — 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 (2 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-10435411-B2 Oxime group-containing quinoline compound, N-oxide thereof or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NOS2, NOS1, CBR3 HDAC6 1252/4885UTRN 4866/4885CYP1A2 10/4885
US-20190248796-A1 OXIME GROUP-CONTAINING QUINOLINE COMPOUND, N-OXIDE THEREOF OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NOS2, NOS1, CBR3 HDAC6 1252/4885UTRN 4866/4885CYP1A2 10/4885

“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.

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