SCHEMBL23309615

SCHEMBL23309615

O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(F)nc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KCNK3 O14649 3/20 0.48
▸ KCNK9 Q9NPC2 3/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ BRAF P15056 2/20 0.48
▸ EGFR P00533 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ NAMPT P43490 1/20 0.46

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
SCHEMBL23309612 0.89 GRM4 (0.47) P2RX1ALDH1A1GAAMAPTHPGD
SCHEMBL23309707 0.86 ABL1 (0.54) MAPTTSHRHTTNPC1RAB9A
SCHEMBL23309513 0.85 RAB9A (0.63) ALDH1A1GAANPC1RAB9AGRM4
SCHEMBL23309585 0.84 KDM4E (0.52) ALDH1A1MAPTHPGDHTTNPC1
SCHEMBL23309593 0.84 GRM4 (0.52) ALDH1A1MAPTTSHRNPC1RAB9A
SCHEMBL23309511 0.82 KMT2A (0.52) MAPTHTTNPC1RAB9AKCNK3
SCHEMBL23309568 0.81 P2RX1 (0.59) P2RX1GAAMAPTHTT
SCHEMBL23309490 0.79 GAA (0.51) ALDH1A1GAAHPGDHTTNPC1
SCHEMBL23309536 0.79 MEN1 (0.55) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL23309548 0.79 FADS1 (0.55) P2RX1ALDH1A1GAAMAPTHPGD

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 P2RX1 2860/4885ALDH1A1 2033/4885GAA 75/4885

“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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