SCHEMBL6412508

SCHEMBL6412508

CC(C)(C)OC(=O)n1nc(-c2cccs2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.53
▸ ALDH1A1 P00352 11/20 0.53
▸ GAA P10253 7/20 0.53
▸ HPGD P15428 6/20 0.53
▸ GLA P06280 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ APOBEC3A P31941 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ FUBP1 Q96AE4 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CASP1 P29466 1/20 0.41

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
SCHEMBL13425864 0.84 SMN1; SMN2 (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25519570 0.75 MAP2K4 (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3500082 0.74 HDAC1 (0.41) KDM4EMAPT
SCHEMBL3259727 0.74 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14014121 0.68 KDM4E (0.78) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24148229 0.68 MAP2K4 (0.45) KDM4EALDH1A1HPGDRXFP1MEN1
SCHEMBL14008902 0.67 KDM4E (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1718395 0.66 KDM4E (0.78) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5212643 0.66 ALDH1A1 (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3277995 0.66 KDM4E (1.00) KDM4EALDH1A1GAAHPGDGLA

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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 — — US disclosed
US-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 — — 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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 KDM4E 1709/4885ALDH1A1 534/4885GAA 4475/4885

“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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