SCHEMBL3417449

SCHEMBL3417449

CC(=O)C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.56
▸ MTOR P42345 2/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ EPHX2 P34913 3/20 0.50
▸ PPARG P37231 2/20 0.50
▸ PPARA Q07869 2/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ P2RX7 Q99572 2/20 0.49
▸ FFAR1 O14842 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 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
SCHEMBL2629356 0.86 LSS (0.59) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL4576236 0.83 MTOR (0.54) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL24575984 0.82 MTOR (0.69) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL3630497 0.81 LSS (0.55) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL15682657 0.81 MTOR (0.52) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL17231401 0.81 MLYCD (0.60) MAPK14P2RX7
SCHEMBL1695141 0.80 MTOR (0.58) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL934145 0.79 HDAC3 (0.60) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL21387743 0.79 HDAC3 (0.59) LSSMTORHDAC3HDAC1HDAC2
SCHEMBL3897948 0.79 CYP2C9 (0.59) LSSMTORHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — US claimed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 — — WO claimed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — 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-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN LSS 4839/4885MTOR 997/4885HDAC3 275/4885

“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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