SCHEMBL23309706

SCHEMBL23309706

O=C(NCc1ccccc1)c1cc(F)nc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ TACR3 P29371 1/20 0.51
▸ KLKB1 P03952 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MMP13 P45452 1/20 0.49
▸ METAP2 P50579 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48

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
SCHEMBL23309570 0.85 PPARG (0.57) TSHRHTTKMT2AKLKB1HPGD
SCHEMBL23309632 0.80 KDM4E (0.36) HTTKMT2AKLKB1SMN1; SMN2MAPT
SCHEMBL23309631 0.79 ALDH1A1 (0.61) TSHRHPGDLMNAL3MBTL1CYP2C19
SCHEMBL23309490 0.78 GAA (0.51) HTTKMT2AHPGDLMNAL3MBTL1
SCHEMBL23309530 0.77 KLKB1 (0.39) KMT2AKLKB1HPGDLMNAL3MBTL1
SCHEMBL23309726 0.77 ALDH1A1 (0.40) KMT2AHPGDSMN1; SMN2
SCHEMBL23309478 0.76 ALDH1A1 (0.45) HTTKMT2AHPGDGAAMAPT
SCHEMBL23309725 0.75 GAA (0.43) KLKB1HPGDGAAMAOB
SCHEMBL23273250 0.75 KDM4E (0.36) HTTKMT2AKLKB1HPGDLMNA
SCHEMBL23309494 0.75 KLKB1 (0.34) HTTKMT2AKLKB1SMN1; SMN2MAPT

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 TSHR 4374/4885HTT 2558/4885KMT2A 2360/4885

“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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