SCHEMBL21767974

SCHEMBL21767974

CCOC(=O)c1nc2cc(C(F)(F)F)ccc2cc1SCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PDE6D O43924 1/20 0.40
PDE5A O76074 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 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
SCHEMBL21782921 0.84 PFKFB3 (0.38) MAOBMAPTKDM4EPTGDR2
SCHEMBL21525836 0.82 ALDH1A1 (0.45) MAPTKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL17824422 0.80 KMT2A (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21767975 0.79 MAOB (0.47) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL29628213 0.79 MAOB (0.47) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL18670048 0.77 POLB (0.45) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL2022107 0.77 MAPT (0.47) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL2021606 0.77 MAPT (0.47) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL18670053 0.76 KDM4E (0.46) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2019965 0.76 MAPT (0.49) MAOBMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617207-B1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2023-06-28 EP disclosed
CN-110582498-B Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-06-24 CN disclosed
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2021-07-20 US disclosed
US-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2020-03-05 US disclosed
EP-3617207-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING EITHER COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2020-03-04 EP disclosed
CN-110582498-A Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2019-12-17 CN 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-20200068893-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND OR THE SALT, AND METHOD FOR USING THE INSECTICIDE H1-0, H1-3, H1-2 MAOB 3850/4885MAPT 4652/4885KDM4E 1681/4885
US-11064699-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound or the salt, and method for using the insecticide H1-0, H1-3, H1-2 MAOB 3850/4885MAPT 4652/4885KDM4E 1681/4885

“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.