SCHEMBL23309560

SCHEMBL23309560

O=C(OCC(F)(F)F)c1cc(F)nc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.37
▸ GABRA1 P14867 5/20 0.35
▸ GABRG2 P18507 5/20 0.35
▸ GABRB3 P28472 5/20 0.35
▸ GABRA5 P31644 5/20 0.35
▸ GABRA3 P34903 5/20 0.35
▸ GABRA2 P47869 5/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23309630 0.85 PLAT (0.39) PLATRAB9ATSHRKDM4EALDH1A1
SCHEMBL23309544 0.81 TSHR (0.48) TDP1MAPTHTTTSHRKDM4E
SCHEMBL23309549 0.79 CYP3A4 (0.34) TSHRALDH1A1HSD17B10
SCHEMBL23309629 0.79 CYP3A4 (0.34) TSHRALDH1A1HSD17B10
SCHEMBL23309579 0.78 ALDH1A1 (0.49) TDP1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL23309648 0.78 NPC1 (0.51) TDP1NPC1MAPTHTTTSHR
SCHEMBL23309663 0.77 ALDH1A1 (0.50) JMJD6TDP1NPC1GAAMAPT
SCHEMBL23309661 0.77 CYP3A4 (0.50) NPC1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL23309619 0.75 NPC1 (0.40) TDP1NPC1GAAMAPTRAB9A
SCHEMBL23309481 0.75 TSHR (0.40) GAAMAPTSMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 — — 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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL PLAT 4449/4885GABRA1 3807/4885GABRG2 4026/4885

“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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