SCHEMBL1992633

SCHEMBL1992633

O=C(NC(F)F)c1cncs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ ACACB O00763 5/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ HDAC1 Q13547 6/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ KIF11 P52732 1/20 0.36

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
SCHEMBL24568233 0.79 ACACB (0.47) KMT2AACACBABL1HDAC1KIF11
SCHEMBL2780654 0.79 — —
SCHEMBL24568381 0.76 ACACB (0.55) KMT2AACACBKIF11
SCHEMBL343489 0.75 — —
SCHEMBL21286901 0.75 — —
SCHEMBL28187036 0.75 — —
SCHEMBL5608437 0.75 KMT2A (0.41) KMT2AACACBABL1IDO1TDO2
SCHEMBL5140577 0.74 KMT2A (0.51) KMT2AACACBABL1IDO1TDO2
SCHEMBL2146814 0.74 KMT2A (0.49) KMT2AACACBABL1IDO1TDO2
SCHEMBL24567564 0.74 ACACB (0.53) KMT2AACACBHDAC1KIF11

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US disclosed
EP-2263463-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-22 — — EP disclosed
EP-2263462-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-22 — — EP disclosed
EP-2260709-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-15 — — EP disclosed
EP-2260710-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-15 — — EP disclosed
EP-2260711-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-15 — — EP disclosed
EP-2258197-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-08 — — EP disclosed
EP-2258198-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-08 — — EP disclosed
EP-2258196-A2 Combination of active agents Bayer CropScience AG (DE) 2010-12-08 — — EP disclosed
EP-2255653-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255652-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255649-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255645-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2255648-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP disclosed
EP-2253213-A1 Agent combinations Bayer CropScience AG (DE) 2010-11-24 — — EP disclosed
EP-2253210-A1 Agent combinations Bayer CropScience AG (DE) 2010-11-24 — — EP disclosed
EP-2253211-A1 Agent combinations Bayer CropScience AG (DE) 2010-11-24 — — EP disclosed
EP-2253212-A1 Agent combinations Bayer CropScience AG (DE) 2010-11-24 — — EP disclosed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 — — EP 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN KMT2A 263/4885ACACB 3442/4885ABL1 419/4885

“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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