SCHEMBL4230722

SCHEMBL4230722

CCn1cc(C(=O)Cl)c(C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 4/20 0.31
▸ POLB P06746 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL1871681 0.85 L3MBTL1 (0.40) KLKB1ALDH1A1LMNANPC1L3MBTL1
SCHEMBL18330041 0.85 KLKB1 (0.39) KLKB1ALDH1A1LMNANPC1L3MBTL1
SCHEMBL26133925 0.84 L3MBTL1 (0.40) KLKB1ALDH1A1LMNANPC1L3MBTL1
SCHEMBL439674 0.81 KLKB1 (0.35) KLKB1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL16892760 0.80 TSHR (0.41) KLKB1ALDH1A1LMNANPC1KDM4E
Hydrochloric Acid SCHEMBL38654637 0.80 KLKB1 (0.34) KLKB1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL21724115 0.79 KLKB1 (0.35) KLKB1
SCHEMBL8932291 0.76 CYP11B1 (0.33) KLKB1LMNAPOLBMEN1KMT2A
SCHEMBL22976065 0.76 ALDH1A1 (0.51) ALDH1A1LMNANPC1L3MBTL1KDM4E
SCHEMBL5212788 0.74 LMNA (0.41) KLKB1ALDH1A1LMNANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069398-A1 Pyrazolyl Carboxamides BAYER CROPSCIENCE AG (DE) 2009-03-12 — — US disclosed
US-20090069398-A1 Pyrazolyl Carboxamides BAYER CROPSCIENCE AG (DE) 2009-03-12 — — US disclosed
US-20090069398-A1 Pyrazolyl Carboxamides BAYER CROPSCIENCE AG (DE) 2009-03-12 — — US disclosed
EP-1965642-A2 PYRAZOLYL CARBOXAMIDES Bayer CropScience AG (DE) 2008-09-10 — — EP disclosed
WO-2007068370-A2 PYRAZOLYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-06-21 — — WO 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-20090069398-A1 Pyrazolyl Carboxamides MRPL21, AADAC, PGLS KLKB1 4669/4885ALDH1A1 709/4885LMNA 3751/4885

“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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