SCHEMBL2006943

SCHEMBL2006943

O=C1Nc2ccc(OC(F)(F)F)cc2C12SCCS2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPT P10636 1/20 0.61
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.50
CES1 P23141 1/20 0.47
LRRK2 Q5S007 2/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
RET P07949 1/20 0.38
KIF11 P52732 2/20 0.37
PAX8 Q06710 1/20 0.37
TGM2 P21980 1/20 0.36
ABL1 P00519 2/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL2005781 0.78 CYP1A2 (0.66) CYP1A2CYP2C19MAPTPOLBCYP3A4
SCHEMBL2482595 0.78 ADAMTS5 (0.47) ADAMTS5CES1LRRK2PIM1PIM2
SCHEMBL2264074 0.77 CES1 (0.51) ADAMTS5CES1TGM2
SCHEMBL2007144 0.76 CYP1A2 (1.00) CYP1A2CYP2C19MAPTPOLBCYP3A4
SCHEMBL2006345 0.73 CYP1A2 (1.00) CYP1A2CYP2C19MAPTPOLBCYP3A4
SCHEMBL2007706 0.72 CYP1A2 (0.66) CYP1A2CYP2C19MAPTPOLBCYP3A4
SCHEMBL31191322 0.72 CES1 (0.47) ADAMTS5CES1LRRK2PIM1PIM2
SCHEMBL11949352 0.71 ADAMTS5 (0.46) ADAMTS5CES1LRRK2RETKIF11
SCHEMBL5480333 0.70 CHRM2 (0.54) MAPTADAMTS5CES1LRRK2RET
Hydrochloric Acid SCHEMBL6637105 0.70 ADAMTS5 (0.43) ADAMTS5CES1LRRK2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620399-B1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2010-09-22 EP claimed
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-02-22 US claimed
US-7964593-B2 Indolone-acetamide derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2011-06-21 US disclosed
EP-1620399-B1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2010-09-22 EP disclosed
US-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2010-03-18 US disclosed
US-7645887-B2 2-(5-iodo-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide; epilepsy, epileptogenesis, seizure disorders and convulsion; 2-(5-chloro-2-oxo-2,3-dhydro-1H-indol-1-yl)-N-[6-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide UCB PHARMA, S.A. (BE) 2010-01-12 US disclosed
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-02-22 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 (2 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-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses AANAT, TPH2, CYP1A2 CYP1A2 3/4885CYP2C19 69/4885MAPT 387/4885
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses AANAT, TPH2, CYP1A2 CYP1A2 3/4885CYP2C19 69/4885MAPT 387/4885

“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.