SCHEMBL19283069

SCHEMBL19283069

Cc1ccc(C(=O)CC(C(O)=S)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC3 O15379 6/20 0.42
▸ HDAC4 P56524 6/20 0.42
▸ HDAC1 Q13547 6/20 0.42
▸ HDAC7 Q8WUI4 6/20 0.42
▸ HDAC2 Q92769 6/20 0.42
▸ HDAC10 Q969S8 6/20 0.42
▸ HDAC11 Q96DB2 6/20 0.42
▸ HDAC8 Q9BY41 6/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42

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
SCHEMBL5186546 0.84 PDPK1 (0.54) ALDH1A1MAPTGSK3BHDAC1HDAC8
SCHEMBL19283068 0.84 GSK3B (0.46) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL17713572 0.84 L3MBTL1 (0.50) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL19283080 0.80 HDAC3 (0.49) KMT2AALDH1A1MAPTLMNANPC1
SCHEMBL19283064 0.77 CA12 (0.49) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL6902380 0.77 GSK3B (0.48) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL11193124 0.77 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6902376 0.77 GSK3B (0.48) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL17713574 0.73 KDM4E (0.48) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL27926100 0.72 GSK3B (0.56) KMT2AALDH1A1MAPTLMNAMEN1

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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 — — 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-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 KMT2A 1471/4885ALDH1A1 3096/4885MAPT 4332/4885

“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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